Acetonitrile

Formula: C₂H₃N
Molecular weight: 41.0519
IUPAC Standard InChI: InChI=1S/C2H3N/c1-2-3/h1H3
IUPAC Standard InChIKey: WEVYAHXRMPXWCK-UHFFFAOYSA-N
CAS Registry Number: 75-05-8
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Other names: Cyanomethane; Ethanenitrile; Ethyl nitrile; Methane, cyano-; Methanecarbonitrile; Methyl cyanide; CH3CN; Acetonitril; Cyanure de methyl; USAF EK-488; Methylkyanid; NA 1648; NCI-C60822; Rcra waste number U003; UN 1648; Ethanonitrile
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Ion clustering data

Go To: Top, References, Notes

Data compiled as indicated in comments:
RCD - Robert C. Dunbar
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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Clustering reactions

+ Acetonitrile = ( • )

By formula: Ag⁺ + C₂H₃N = (Ag⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	38.7	kcal/mol	CIDT	Shoieb, Aribi, et al., 2001	RCD

( • Acetonitrile ) + = ( • 2)

By formula: (Ag⁺ • C₂H₃N) + C₂H₃N = (Ag⁺ • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	34.7	kcal/mol	CIDT	Shoieb, Aribi, et al., 2001	RCD

+ Acetonitrile = ( • )

By formula: Br^- + C₂H₃N = (Br^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.3 ± 1.0	kcal/mol	TDAs	Li, Ross, et al., 1996	gas phase; B
Δ_rH°	12.10 ± 0.40	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Δ_rH°	12.90 ± 0.40	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	12.9 ± 2.0	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Δ_rH°	12.9	kcal/mol	HPMS	Caldwell, Masucci, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	12.2	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	16.5	cal/mol*K	HPMS	Yamdagni and Kebarle, 1972	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.70 ± 0.20	kcal/mol	TDAs	Li, Ross, et al., 1996	gas phase; B
Δ_rG°	8.8 ± 2.0	kcal/mol	IMRE	Tanabe, Morgon, et al., 1996	gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B
Δ_rG°	9.20 ± 0.70	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	8.0 ± 2.0	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • Acetonitrile ) + = ( • 2)

By formula: (Br^- • C₂H₃N) + C₂H₃N = (Br^- • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.70 ± 0.40	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	11.50 ± 0.70	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Δ_rH°	11.80	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.0	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	20.4	cal/mol*K	HPMS	Yamdagni and Kebarle, 1972	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.6 ± 1.3	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	5.80	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 2 Acetonitrile ) + = ( • 3)

By formula: (Br^- • 2C₂H₃N) + C₂H₃N = (Br^- • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.20 ± 0.40	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	10.40 ± 0.70	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Δ_rH°	10.00	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	16.7	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	21.7	cal/mol*K	HPMS	Yamdagni and Kebarle, 1972	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.2 ± 1.3	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	3.60	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 3 Acetonitrile ) + = ( • 4)

By formula: (Br^- • 3C₂H₃N) + C₂H₃N = (Br^- • 4C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.70 ± 0.30	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	8.50 ± 0.80	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Δ_rH°	5.50	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.6	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	10.9	cal/mol*K	HPMS	Yamdagni and Kebarle, 1972	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.8 ± 1.2	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	2.20	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 4 Acetonitrile ) + = ( • 5)

By formula: (Br^- • 4C₂H₃N) + C₂H₃N = (Br^- • 5C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.50 ± 0.30	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	5.80 ± 0.90	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.2	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.8 ± 1.3	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

( • 5 Acetonitrile ) + = ( • 6)

By formula: (Br^- • 5C₂H₃N) + C₂H₃N = (Br^- • 6C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.00 ± 0.20	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	5.5 ± 1.0	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.5	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.20 ± 0.90	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

( • 6 Acetonitrile ) + = ( • 7)

By formula: (Br^- • 6C₂H₃N) + C₂H₃N = (Br^- • 7C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.70 ± 0.30	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	3.0 ± 1.1	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.9	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.8 ± 1.3	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

( • 7 Acetonitrile ) + = ( • 8)

By formula: (Br^- • 7C₂H₃N) + C₂H₃N = (Br^- • 8C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	3.7 ± 1.2	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 8 Acetonitrile ) + = ( • 9)

By formula: (Br^- • 8C₂H₃N) + C₂H₃N = (Br^- • 9C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.8 ± 1.4	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 9 Acetonitrile ) + = ( • 10)

By formula: (Br^- • 9C₂H₃N) + C₂H₃N = (Br^- • 10C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	3.5 ± 1.5	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 10 Acetonitrile ) + = ( • 11)

By formula: (Br^- • 10C₂H₃N) + C₂H₃N = (Br^- • 11C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.2 ± 1.6	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 11 Acetonitrile ) + = ( • 12)

By formula: (Br^- • 11C₂H₃N) + C₂H₃N = (Br^- • 12C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.2 ± 1.7	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 12 Acetonitrile ) + = ( • 13)

By formula: (Br^- • 12C₂H₃N) + C₂H₃N = (Br^- • 13C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	0.5 ± 1.8	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 13 Acetonitrile ) + = ( • 14)

By formula: (Br^- • 13C₂H₃N) + C₂H₃N = (Br^- • 14C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	0.7 ± 1.9	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

CH₆N⁺ + Acetonitrile = (CH₆N⁺ • )

By formula: CH₆N⁺ + C₂H₃N = (CH₆N⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	26.2	kcal/mol	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.7	cal/mol*K	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M

(CH₆N⁺ • Acetonitrile ) + = (CH₆N⁺ • 2)

By formula: (CH₆N⁺ • C₂H₃N) + C₂H₃N = (CH₆N⁺ • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	18.6	kcal/mol	PHPMS	Meot-Ner (Mautner) and Sieck, 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.6	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Sieck, 1985	gas phase; M

(CH₆N⁺ • 2 Acetonitrile ) + = (CH₆N⁺ • 3)

By formula: (CH₆N⁺ • 2C₂H₃N) + C₂H₃N = (CH₆N⁺ • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.4	kcal/mol	PHPMS	Meot-Ner (Mautner) and Sieck, 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.0	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Sieck, 1985	gas phase; M

CN^- + Acetonitrile = (CN^- • )

By formula: CN^- + C₂H₃N = (CN^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.8 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988	gas phase; B,M
Δ_rH°	16.4 ± 3.5	kcal/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M
Δ_rH°	15.70	kcal/mol	TDAs	Hiraoka, Mizure, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.7	cal/mol*K	PHPMS	Hiraoka, Mizure, et al., 1988	gas phase; M
Δ_rS°	14.2	cal/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Δ_rS°	24.3	cal/mol*K	N/A	Larson and McMahon, 1987	gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.5 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988	gas phase; B
Δ_rG°	9.1 ± 2.3	kcal/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M
Δ_rG°	9.20	kcal/mol	TDAs	Hiraoka, Mizure, et al., 1988	gas phase; B

C₂H₂N^- + Acetonitrile = (C₂H₂N^- • )

By formula: C₂H₂N^- + C₂H₃N = (C₂H₂N^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.8 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988, 2	gas phase; B,M
Δ_rH°	15.70	kcal/mol	TDAs	Hiraoka, Mizure, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.8	cal/mol*K	PHPMS	Hiraoka, Mizure, et al., 1988	gas phase; M
Δ_rS°	13.4	cal/mol*K	PHPMS	Meot-ner, 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.8 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988, 2	gas phase; B
Δ_rG°	8.90	kcal/mol	TDAs	Hiraoka, Mizure, et al., 1988	gas phase; B

+ Acetonitrile = ( • )

By formula: C₂H₃O₂^- + C₂H₃N = (C₂H₃O₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.8 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	18.0	cal/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.4 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988	gas phase; B

(C₂H₄N⁺ • ) + Acetonitrile = (C₂H₄N⁺ • • )

By formula: (C₂H₄N⁺ • CH₄O) + C₂H₃N = (C₂H₄N⁺ • C₂H₃N • CH₄O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	22.6	kcal/mol	PHPMS	El-Shall, Olafsdottir, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.5	cal/mol*K	PHPMS	El-Shall, Olafsdottir, et al., 1991	gas phase; M

C₂H₄N⁺ + Acetonitrile = (C₂H₄N⁺ • )

By formula: C₂H₄N⁺ + C₂H₃N = (C₂H₄N⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	31.1 ± 2.3	kcal/mol	CID	Honma, Sunderlin, et al., 1993	gas phase; guided ion beam CID; M
Δ_rH°	28.9	kcal/mol	PHPMS	Allison, Cramer, et al., 1991	gas phase; M
Δ_rH°	29.8	kcal/mol	PHPMS	Deakyne, Meot-Ner (Mautner), et al., 1986	gas phase; n; M
Δ_rH°	29.8	kcal/mol	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M
Δ_rH°	30.2	kcal/mol	PHPMS	Meot-Ner (Mautner), 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.2	cal/mol*K	PHPMS	Allison, Cramer, et al., 1991	gas phase; M
Δ_rS°	24.8	cal/mol*K	PHPMS	Deakyne, Meot-Ner (Mautner), et al., 1986	gas phase; n; M
Δ_rS°	24.7	cal/mol*K	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M
Δ_rS°	29.	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1978	gas phase; M

(C₂H₄N⁺ • Acetonitrile • ) + = (C₂H₄N⁺ • 2 • )

By formula: (C₂H₄N⁺ • C₂H₃N • CH₄O) + C₂H₃N = (C₂H₄N⁺ • 2C₂H₃N • CH₄O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.0	kcal/mol	PHPMS	El-Shall, Olafsdottir, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	12.4	cal/mol*K	PHPMS	El-Shall, Olafsdottir, et al., 1991	gas phase; M

(C₂H₄N⁺ • Acetonitrile • 2) + = (C₂H₄N⁺ • 2 • 2)

By formula: (C₂H₄N⁺ • C₂H₃N • 2CH₄O) + C₂H₃N = (C₂H₄N⁺ • 2C₂H₃N • 2CH₄O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.6	kcal/mol	PHPMS	El-Shall, Olafsdottir, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.6	cal/mol*K	PHPMS	El-Shall, Olafsdottir, et al., 1991	gas phase; M

(C₂H₄N⁺ • Acetonitrile ) + = (C₂H₄N⁺ • 2)

By formula: (C₂H₄N⁺ • C₂H₃N) + C₂H₃N = (C₂H₄N⁺ • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.3	kcal/mol	PHPMS	Meot-Ner (Mautner), 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1978	gas phase; M

(C₂H₄N⁺ • Acetonitrile • ) + = (C₂H₄N⁺ • 2 • )

By formula: (C₂H₄N⁺ • C₂H₃N • H₂O) + C₂H₃N = (C₂H₄N⁺ • 2C₂H₃N • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	20.6	kcal/mol	PHPMS	Deakyne, Meot-Ner (Mautner), et al., 1986	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.3	cal/mol*K	PHPMS	Deakyne, Meot-Ner (Mautner), et al., 1986	gas phase; n; M

(C₂H₄N⁺ • Acetonitrile • 4) + = (C₂H₄N⁺ • 2 • 4)

By formula: (C₂H₄N⁺ • C₂H₃N • 4H₂O) + C₂H₃N = (C₂H₄N⁺ • 2C₂H₃N • 4H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.4	kcal/mol	PHPMS	Deakyne, Meot-Ner (Mautner), et al., 1986	gas phase; n, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.	cal/mol*K	N/A	Deakyne, Meot-Ner (Mautner), et al., 1986	gas phase; n, Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.4	318.	PHPMS	Deakyne, Meot-Ner (Mautner), et al., 1986	gas phase; n, Entropy change calculated or estimated; M

(C₂H₄N⁺ • ) + Acetonitrile = (C₂H₄N⁺ • • )

By formula: (C₂H₄N⁺ • H₂O) + C₂H₃N = (C₂H₄N⁺ • C₂H₃N • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	23.4	kcal/mol	PHPMS	Deakyne, Meot-Ner (Mautner), et al., 1986	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.7	cal/mol*K	PHPMS	Deakyne, Meot-Ner (Mautner), et al., 1986	gas phase; n; M

C₂H₆NO⁺ + Acetonitrile = (C₂H₆NO⁺ • )

By formula: C₂H₆NO⁺ + C₂H₃N = (C₂H₆NO⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
16.2	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₂H₇O⁺ + Acetonitrile = (C₂H₇O⁺ • )

By formula: C₂H₇O⁺ + C₂H₃N = (C₂H₇O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
23.0	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O,; Grimsrud and Kebarle, 1973; M

C₃H₅O⁺ + Acetonitrile = (C₃H₅O⁺ • )

By formula: C₃H₅O⁺ + C₂H₃N = (C₃H₅O⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.3	kcal/mol	PHPMS	Meot-ner, 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	18.9	cal/mol*K	PHPMS	Meot-ner, 1988, 2	gas phase; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
9.4	295.	FA	Mackay, Rakshit, et al., 1982	gas phase; M

C₃H₅O^- + Acetonitrile = (C₃H₅O^- • )

By formula: C₃H₅O^- + C₂H₃N = (C₃H₅O^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.3 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988, 2	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.6 ± 2.0	kcal/mol	TDAs	Meot-ner, 1988, 2	gas phase; B

C₃H₇O⁺ + Acetonitrile = (C₃H₇O⁺ • )

By formula: C₃H₇O⁺ + C₂H₃N = (C₃H₇O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
20.8	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₃H₇O₂⁺ + Acetonitrile = (C₃H₇O₂⁺ • )

By formula: C₃H₇O₂⁺ + C₂H₃N = (C₃H₇O₂⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
21.5	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₃H₇O₂⁺ + Acetonitrile = (C₃H₇O₂⁺ • )

By formula: C₃H₇O₂⁺ + C₂H₃N = (C₃H₇O₂⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
20.1	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; n,switching reaction((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₃H₉O⁺ + Acetonitrile = (C₃H₉O⁺ • )

By formula: C₃H₉O⁺ + C₂H₃N = (C₃H₉O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
23.6	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₃H₉Sn⁺ + Acetonitrile = (C₃H₉Sn⁺ • )

By formula: C₃H₉Sn⁺ + C₂H₃N = (C₃H₉Sn⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	37.5	kcal/mol	PHPMS	Stone and Splinter, 1984	gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	31.4	cal/mol*K	N/A	Stone and Splinter, 1984	gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
21.0	525.	PHPMS	Stone and Splinter, 1984	gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

C₄H₂O₃^- + Acetonitrile = (C₄H₂O₃^- • )

By formula: C₄H₂O₃^- + C₂H₃N = (C₄H₂O₃^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.5 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

+ Acetonitrile = ( • )

By formula: C₄H₄N^- + C₂H₃N = (C₄H₄N^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.8 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988, 2	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.4	cal/mol*K	PHPMS	Meot-ner, 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.8 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988, 2	gas phase; B

C₄H₆N⁺ + Acetonitrile = (C₄H₆N⁺ • )

By formula: C₄H₆N⁺ + C₂H₃N = (C₄H₆N⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
20.8	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₄H₇O⁺ + Acetonitrile = (C₄H₇O⁺ • )

By formula: C₄H₇O⁺ + C₂H₃N = (C₄H₇O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
22.1	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₄H₉O⁺ + Acetonitrile = (C₄H₉O⁺ • )

By formula: C₄H₉O⁺ + C₂H₃N = (C₄H₉O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
20.7	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973; M

C₄H₉O₂⁺ + Acetonitrile = (C₄H₉O₂⁺ • )

By formula: C₄H₉O₂⁺ + C₂H₃N = (C₄H₉O₂⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
22.9	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₄H₉O₂⁺ + Acetonitrile = (C₄H₉O₂⁺ • )

By formula: C₄H₉O₂⁺ + C₂H₃N = (C₄H₉O₂⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
18.9	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction((CH3)2O)H+)(CH3)2O; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C₄H₁₁O⁺ + Acetonitrile = (C₄H₁₁O⁺ • )

By formula: C₄H₁₁O⁺ + C₂H₃N = (C₄H₁₁O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
19.6	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction(Me2O)2H+; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C₅HFeO₅⁺ + Acetonitrile = (C₅HFeO₅⁺ • )

By formula: C₅HFeO₅⁺ + C₂H₃N = (C₅HFeO₅⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.8	kcal/mol	PHPMS	Allison, Cramer, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.8	cal/mol*K	PHPMS	Allison, Cramer, et al., 1991	gas phase; M

+ Acetonitrile = ( • )

By formula: C₅H₅^- + C₂H₃N = (C₅H₅^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.5 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988, 2	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.7 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988, 2	gas phase; B

C₅H₉O⁺ + Acetonitrile = (C₅H₉O⁺ • )

By formula: C₅H₉O⁺ + C₂H₃N = (C₅H₉O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
20.1	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₅H₉O⁺ + Acetonitrile = (C₅H₉O⁺ • )

By formula: C₅H₉O⁺ + C₂H₃N = (C₅H₉O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
17.5	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₅H₉O₂⁺ + Acetonitrile = (C₅H₉O₂⁺ • )

By formula: C₅H₉O₂⁺ + C₂H₃N = (C₅H₉O₂⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
17.7	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₅H₁₁O⁺ + Acetonitrile = (C₅H₁₁O⁺ • )

By formula: C₅H₁₁O⁺ + C₂H₃N = (C₅H₁₁O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
20.3	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₅H₁₃O⁺ + Acetonitrile = (C₅H₁₃O⁺ • )

By formula: C₅H₁₃O⁺ + C₂H₃N = (C₅H₁₃O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
18.4	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₆F₄O₂^- + Acetonitrile = (C₆F₄O₂^- • )

By formula: C₆F₄O₂^- + C₂H₃N = (C₆F₄O₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.4 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
3.4	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₄ClNO₂^- + Acetonitrile = (C₆H₄ClNO₂^- • )

By formula: C₆H₄ClNO₂^- + C₂H₃N = (C₆H₄ClNO₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.7 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
5.7	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₄ClNO₂^- + Acetonitrile = (C₆H₄ClNO₂^- • )

By formula: C₆H₄ClNO₂^- + C₂H₃N = (C₆H₄ClNO₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.1 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
6.1	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₄ClNO₂^- + Acetonitrile = (C₆H₄ClNO₂^- • )

By formula: C₆H₄ClNO₂^- + C₂H₃N = (C₆H₄ClNO₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.9 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
5.9	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₄FNO₂^- + Acetonitrile = (C₆H₄FNO₂^- • )

By formula: C₆H₄FNO₂^- + C₂H₃N = (C₆H₄FNO₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.1 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
6.1	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₄FNO₂^- + Acetonitrile = (C₆H₄FNO₂^- • )

By formula: C₆H₄FNO₂^- + C₂H₃N = (C₆H₄FNO₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.3 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
6.3	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₄FNO₂^- + Acetonitrile = (C₆H₄FNO₂^- • )

By formula: C₆H₄FNO₂^- + C₂H₃N = (C₆H₄FNO₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.0 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
6.0	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₄NO₃^- + Acetonitrile = (C₆H₄NO₃^- • )

By formula: C₆H₄NO₃^- + C₂H₃N = (C₆H₄NO₃^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.7 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

C₆H₄NO₃^- + Acetonitrile = (C₆H₄NO₃^- • )

By formula: C₆H₄NO₃^- + C₂H₃N = (C₆H₄NO₃^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.4 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

C₆H₄N₂O₄^- + Acetonitrile = (C₆H₄N₂O₄^- • )

By formula: C₆H₄N₂O₄^- + C₂H₃N = (C₆H₄N₂O₄^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.2 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
3.2	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₄N₂O₄^- + Acetonitrile = (C₆H₄N₂O₄^- • )

By formula: C₆H₄N₂O₄^- + C₂H₃N = (C₆H₄N₂O₄^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.8 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
4.8	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₄N₂O₄^- + Acetonitrile = (C₆H₄N₂O₄^- • )

By formula: C₆H₄N₂O₄^- + C₂H₃N = (C₆H₄N₂O₄^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.3 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
4.3	343.	PHPMS	Chowdhury, 1987	gas phase; M

+ Acetonitrile = ( • )

By formula: C₆H₄O₂^- + C₂H₃N = (C₆H₄O₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.8 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
4.8	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₅NO₂^- + Acetonitrile = (C₆H₅NO₂^- • )

By formula: C₆H₅NO₂^- + C₂H₃N = (C₆H₅NO₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.6 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
6.6	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₇N⁺ + Acetonitrile = (C₆H₇N⁺ • )

By formula: C₆H₇N⁺ + C₂H₃N = (C₆H₇N⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	17.3	kcal/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.8	cal/mol*K	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; M

C₆H₇O⁺ + Acetonitrile = (C₆H₇O⁺ • )

By formula: C₆H₇O⁺ + C₂H₃N = (C₆H₇O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
18.7	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₆H₁₁O⁺ + Acetonitrile = (C₆H₁₁O⁺ • )

By formula: C₆H₁₁O⁺ + C₂H₃N = (C₆H₁₁O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
19.4	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₆H₁₃O⁺ + Acetonitrile = (C₆H₁₃O⁺ • )

By formula: C₆H₁₃O⁺ + C₂H₃N = (C₆H₁₃O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
18.2	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₆H₁₃O⁺ + Acetonitrile = (C₆H₁₃O⁺ • )

By formula: C₆H₁₃O⁺ + C₂H₃N = (C₆H₁₃O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
18.1	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₆H₁₅O⁺ + Acetonitrile = (C₆H₁₅O⁺ • )

By formula: C₆H₁₅O⁺ + C₂H₃N = (C₆H₁₅O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
18.7	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₆H₁₅O⁺ + Acetonitrile = (C₆H₁₅O⁺ • )

By formula: C₆H₁₅O⁺ + C₂H₃N = (C₆H₁₅O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
17.9	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₇H₄F₃NO₂^- + Acetonitrile = (C₇H₄F₃NO₂^- • )

By formula: C₇H₄F₃NO₂^- + C₂H₃N = (C₇H₄F₃NO₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.3 ± 2.0	kcal/mol	N/A	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.4	cal/mol*K	PHPMS	Chowdhury, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.4 ± 2.0	kcal/mol	TDAs	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

C₇H₄N₂O₂^- + Acetonitrile = (C₇H₄N₂O₂^- • )

By formula: C₇H₄N₂O₂^- + C₂H₃N = (C₇H₄N₂O₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.1 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
5.1	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₇H₄N₂O₂^- + Acetonitrile = (C₇H₄N₂O₂^- • )

By formula: C₇H₄N₂O₂^- + C₂H₃N = (C₇H₄N₂O₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.3 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
5.3	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₇H₄N₂O₂^- + Acetonitrile = (C₇H₄N₂O₂^- • )

By formula: C₇H₄N₂O₂^- + C₂H₃N = (C₇H₄N₂O₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.9 ± 2.0	kcal/mol	N/A	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	28.6	cal/mol*K	PHPMS	Chowdhury, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.1 ± 2.0	kcal/mol	TDAs	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

C₇H₇NO₂^- + Acetonitrile = (C₇H₇NO₂^- • )

By formula: C₇H₇NO₂^- + C₂H₃N = (C₇H₇NO₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.7 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
6.7	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₇H₇NO₃^- + Acetonitrile = (C₇H₇NO₃^- • )

By formula: C₇H₇NO₃^- + C₂H₃N = (C₇H₇NO₃^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.8 ± 2.0	kcal/mol	N/A	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.7	cal/mol*K	PHPMS	Chowdhury, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.6 ± 2.0	kcal/mol	TDAs	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

C₇H₁₁O⁺ + Acetonitrile = (C₇H₁₁O⁺ • )

By formula: C₇H₁₁O⁺ + C₂H₃N = (C₇H₁₁O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
14.3	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₇H₁₅O⁺ + Acetonitrile = (C₇H₁₅O⁺ • )

By formula: C₇H₁₅O⁺ + C₂H₃N = (C₇H₁₅O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
16.7	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₈H₉O₂⁺ + Acetonitrile = (C₈H₉O₂⁺ • )

By formula: C₈H₉O₂⁺ + C₂H₃N = (C₈H₉O₂⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
16.5	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₉H₁₁O⁺ + Acetonitrile = (C₉H₁₁O⁺ • )

By formula: C₉H₁₁O⁺ + C₂H₃N = (C₉H₁₁O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
15.5	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₁₀H₄Cl₂O₂^- + Acetonitrile = (C₁₀H₄Cl₂O₂^- • )

By formula: C₁₀H₄Cl₂O₂^- + C₂H₃N = (C₁₀H₄Cl₂O₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	<1.5 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
1.5	343.	PHPMS	Chowdhury, 1987	gas phase; DG<; M

+ Acetonitrile = ( • )

By formula: C₁₀H₆O₂^- + C₂H₃N = (C₁₀H₆O₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.2 ± 1.6	kcal/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
4.2	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₁₀H₁₀Fe⁺ + Acetonitrile = (C₁₀H₁₀Fe⁺ • )

By formula: C₁₀H₁₀Fe⁺ + C₂H₃N = (C₁₀H₁₀Fe⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.4	kcal/mol	PHPMS	Meot-Ner (Mautner), 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	18.9	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1989	gas phase; M

(C₁₀H₁₀Fe⁺ • Acetonitrile ) + = (C₁₀H₁₀Fe⁺ • 2)

By formula: (C₁₀H₁₀Fe⁺ • C₂H₃N) + C₂H₃N = (C₁₀H₁₀Fe⁺ • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.1	kcal/mol	PHPMS	Meot-Ner (Mautner), 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	16.0	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1989	gas phase; M

C₁₀H₁₁Fe⁺ + Acetonitrile = (C₁₀H₁₁Fe⁺ • )

By formula: C₁₀H₁₁Fe⁺ + C₂H₃N = (C₁₀H₁₁Fe⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.9	kcal/mol	PHPMS	Meot-Ner (Mautner), 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.4	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1989	gas phase; M

C₁₁H₁₀⁺ + Acetonitrile = (C₁₁H₁₀⁺ • )

By formula: C₁₁H₁₀⁺ + C₂H₃N = (C₁₁H₁₀⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.3	kcal/mol	PHPMS	El-Shall and Meot-Ner (Mautner), 1987	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.	cal/mol*K	N/A	El-Shall and Meot-Ner (Mautner), 1987	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
4.6	303.	PHPMS	El-Shall and Meot-Ner (Mautner), 1987	gas phase; Entropy change calculated or estimated; M

+ Acetonitrile = ( • )

By formula: Cl^- + C₂H₃N = (Cl^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15. ± 2.	kcal/mol	AVG	N/A	Average of 6 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	15.7	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	15.7	cal/mol*K	PHPMS	Yamabe, Furumiya, et al., 1986	gas phase; M
Δ_rS°	14.3	cal/mol*K	PHPMS	Sieck, 1985	gas phase; M
Δ_rS°	14.3	cal/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; M
Δ_rS°	21.4	cal/mol*K	N/A	Larson and McMahon, 1984	gas phase; switching reaction(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10.20 ± 0.20	kcal/mol	TDAs	Li, Ross, et al., 1996	gas phase; B
Δ_rG°	9.2 ± 2.0	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	8.9 ± 2.6	kcal/mol	TDAs	Yamabe, Furumiya, et al., 1986	gas phase; B
Δ_rG°	10.10 ± 0.20	kcal/mol	TDAs	Sieck, 1985	gas phase; B
Δ_rG°	9.2 ± 2.0	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • Acetonitrile ) + = ( • 2)

By formula: (Cl^- • C₂H₃N) + C₂H₃N = (Cl^- • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.50 ± 0.40	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	12.00 ± 0.70	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Δ_rH°	12.20	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	16.3	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	18.9	cal/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.6 ± 1.2	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	6.60	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 2 Acetonitrile ) + = ( • 3)

By formula: (Cl^- • 2C₂H₃N) + C₂H₃N = (Cl^- • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.20 ± 0.40	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	12.00 ± 0.70	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Δ_rH°	10.60	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.6	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	20.1	cal/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.3 ± 1.3	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	4.60	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 3 Acetonitrile ) + = ( • 4)

By formula: (Cl^- • 3C₂H₃N) + C₂H₃N = (Cl^- • 4C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.90 ± 0.30	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	9.00 ± 0.80	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Δ_rH°	6.20	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.6	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	10.8	cal/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.9 ± 1.2	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	3.00	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 4 Acetonitrile ) + = ( • 5)

By formula: (Cl^- • 4C₂H₃N) + C₂H₃N = (Cl^- • 5C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.80 ± 0.20	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	5.80 ± 0.90	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.1	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.70 ± 0.80	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

( • 5 Acetonitrile ) + = ( • 6)

By formula: (Cl^- • 5C₂H₃N) + C₂H₃N = (Cl^- • 6C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.50 ± 0.20	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	5.8 ± 1.0	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	29.1	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.80 ± 0.80	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

( • 6 Acetonitrile ) + = ( • 7)

By formula: (Cl^- • 6C₂H₃N) + C₂H₃N = (Cl^- • 7C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.40 ± 0.30	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	3.9 ± 1.1	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	30.7	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.2 ± 1.4	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

( • 7 Acetonitrile ) + = ( • 8)

By formula: (Cl^- • 7C₂H₃N) + C₂H₃N = (Cl^- • 8C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.20	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; Entropy estimated; B,M
Δ_rH°	2.8 ± 1.2	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	32.	cal/mol*K	N/A	Hiraoka, Mizuse, et al., 1988	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	-0.40	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; Entropy estimated; B

( • 8 Acetonitrile ) + = ( • 9)

By formula: (Cl^- • 8C₂H₃N) + C₂H₃N = (Cl^- • 9C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	4.4 ± 1.4	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 9 Acetonitrile ) + = ( • 10)

By formula: (Cl^- • 9C₂H₃N) + C₂H₃N = (Cl^- • 10C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.1 ± 1.5	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 10 Acetonitrile ) + = ( • 11)

By formula: (Cl^- • 10C₂H₃N) + C₂H₃N = (Cl^- • 11C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.8 ± 1.6	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 11 Acetonitrile ) + = ( • 12)

By formula: (Cl^- • 11C₂H₃N) + C₂H₃N = (Cl^- • 12C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-0.5 ± 1.7	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 12 Acetonitrile ) + = ( • 13)

By formula: (Cl^- • 12C₂H₃N) + C₂H₃N = (Cl^- • 13C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	0.9 ± 1.8	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 13 Acetonitrile ) + = ( • 14)

By formula: (Cl^- • 13C₂H₃N) + C₂H₃N = (Cl^- • 14C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-0.5 ± 1.9	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

+ Acetonitrile = ( • )

By formula: Cs⁺ + C₂H₃N = (Cs⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	19.2	kcal/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	18.6	cal/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • Acetonitrile ) + = ( • 2)

By formula: (Cs⁺ • C₂H₃N) + C₂H₃N = (Cs⁺ • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.7	kcal/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.6	cal/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 2 Acetonitrile ) + = ( • 3)

By formula: (Cs⁺ • 2C₂H₃N) + C₂H₃N = (Cs⁺ • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.3	kcal/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.0	cal/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 3 Acetonitrile ) + = ( • 4)

By formula: (Cs⁺ • 3C₂H₃N) + C₂H₃N = (Cs⁺ • 4C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.1	kcal/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.0	cal/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 4 Acetonitrile ) + = ( • 5)

By formula: (Cs⁺ • 4C₂H₃N) + C₂H₃N = (Cs⁺ • 5C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.9	kcal/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	32.9	cal/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

+ Acetonitrile = ( • )

By formula: Cu⁺ + C₂H₃N = (Cu⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	56.9 ± 0.7	kcal/mol	CIDT	Vitale, 2001	CH3CN is fifth ligand; RCD

( • Acetonitrile ) + = ( • 2)

By formula: (Cu⁺ • C₂H₃N) + C₂H₃N = (Cu⁺ • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	56.9 ± 2.2	kcal/mol	CIDT	Vitale, 2001	RCD

( • 2 Acetonitrile ) + = ( • 3)

By formula: (Cu⁺ • 2C₂H₃N) + C₂H₃N = (Cu⁺ • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	20.1 ± 0.5	kcal/mol	CIDT	Vitale, 2001	RCD

( • 3 Acetonitrile ) + = ( • 4)

By formula: (Cu⁺ • 3C₂H₃N) + C₂H₃N = (Cu⁺ • 4C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.0 ± 0.5	kcal/mol	CIDT	Vitale, 2001	RCD

( • 4 Acetonitrile ) + = ( • 5)

By formula: (Cu⁺ • 4C₂H₃N) + C₂H₃N = (Cu⁺ • 5C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.3 ± 1.0	kcal/mol	CIDT	Vitale, 2001	RCD

+ Acetonitrile = ( • )

By formula: F^- + C₂H₃N = (F^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	24.5 ± 2.0	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; Discrepancy with Yamdagni and Kebarle, 1972 "not resolved; B,M
Δ_rH°	16.0 ± 2.0	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.9	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	13.4	cal/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	17.6 ± 3.3	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; Discrepancy with Yamdagni and Kebarle, 1972 "not resolved; B
Δ_rG°	12.0 ± 2.0	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • Acetonitrile ) + = ( • 2)

By formula: (F^- • C₂H₃N) + C₂H₃N = (F^- • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	17.7 ± 1.5	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	12.90	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.9	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	14.8	cal/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10.8 ± 3.4	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	8.50	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 2 Acetonitrile ) + = ( • 3)

By formula: (F^- • 2C₂H₃N) + C₂H₃N = (F^- • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.1 ± 1.0	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	11.70	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.4	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	17.9	cal/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.4 ± 2.5	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	6.40	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 3 Acetonitrile ) + = ( • 4)

By formula: (F^- • 3C₂H₃N) + C₂H₃N = (F^- • 4C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.80 ± 0.50	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	10.40	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.3	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	19.6	cal/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.9 ± 1.9	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	4.50	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 4 Acetonitrile ) + = ( • 5)

By formula: (F^- • 4C₂H₃N) + C₂H₃N = (F^- • 5C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.50 ± 0.20	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	5.30	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	29.6	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	7.4	cal/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.60 ± 0.80	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	3.10	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 5 Acetonitrile ) + = ( • 6)

By formula: (F^- • 5C₂H₃N) + C₂H₃N = (F^- • 6C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.70 ± 0.20	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.8	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.40 ± 0.90	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

( • 6 Acetonitrile ) + = ( • 7)

By formula: (F^- • 6C₂H₃N) + C₂H₃N = (F^- • 7C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.50	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; Entropy estimated; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	28.	cal/mol*K	N/A	Hiraoka, Mizuse, et al., 1988	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.10	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; Entropy estimated; B

+ Acetonitrile = ( • )

By formula: H₄N⁺ + C₂H₃N = (H₄N⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	27.6	kcal/mol	PHPMS	Liebman, Romm, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.2	cal/mol*K	PHPMS	Liebman, Romm, et al., 1991	gas phase; M

( • Acetonitrile ) + = ( • 2)

By formula: (H₄N⁺ • C₂H₃N) + C₂H₃N = (H₄N⁺ • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	21.2	kcal/mol	PHPMS	Liebman, Romm, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.4	cal/mol*K	PHPMS	Liebman, Romm, et al., 1991	gas phase; M

( • 2 Acetonitrile ) + = ( • 3)

By formula: (H₄N⁺ • 2C₂H₃N) + C₂H₃N = (H₄N⁺ • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.2	kcal/mol	PHPMS	Liebman, Romm, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.5	cal/mol*K	PHPMS	Liebman, Romm, et al., 1991	gas phase; M

( • 3 Acetonitrile ) + = ( • 4)

By formula: (H₄N⁺ • 3C₂H₃N) + C₂H₃N = (H₄N⁺ • 4C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.7	kcal/mol	PHPMS	Liebman, Romm, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.2	cal/mol*K	PHPMS	Liebman, Romm, et al., 1991	gas phase; M

+ Acetonitrile = ( • )

By formula: I^- + C₂H₃N = (I^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.9 ± 2.0	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Δ_rH°	11.10 ± 0.40	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Δ_rH°	11.1 ± 1.1	kcal/mol	LPES	Dessent, Bailey, et al., 1995	gas phase; B
Δ_rH°	11.00 ± 0.20	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	12.	kcal/mol	PHPMS	Caldwell, Masucci, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	13.8	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	18.2	cal/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.4 ± 2.0	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B
Δ_rG°	6.6 ± 2.0	kcal/mol	IMRE	Tanabe, Morgon, et al., 1996	gas phase; Anchored to H2O..I- of Caldwell and Kebarle, 1984; B
Δ_rG°	6.90 ± 0.50	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

( • Acetonitrile ) + = ( • 2)

By formula: (I^- • C₂H₃N) + C₂H₃N = (I^- • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.40 ± 0.20	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	11.10 ± 0.70	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Δ_rH°	11.10 ± 0.40	kcal/mol	N/A	Dessent, Bailey, et al., 1995	gas phase; Vertical Detachment Energy: 2.25±0.08 eV.; B
Δ_rH°	10.50	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	18.4	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	20.8	cal/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.90 ± 0.80	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	4.30	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 2 Acetonitrile ) + = ( • 3)

By formula: (I^- • 2C₂H₃N) + C₂H₃N = (I^- • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.20 ± 0.20	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	9.70 ± 0.70	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Δ_rH°	9.30	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.9	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	22.1	cal/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.20 ± 0.80	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	2.70	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 3 Acetonitrile ) + = ( • 4)

By formula: (I^- • 3C₂H₃N) + C₂H₃N = (I^- • 4C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.80 ± 0.10	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	7.40 ± 0.80	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.3	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.00 ± 0.40	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

( • 4 Acetonitrile ) + = ( • 5)

By formula: (I^- • 4C₂H₃N) + C₂H₃N = (I^- • 5C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.10 ± 0.30	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	10.60 ± 0.90	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	18.9	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.4 ± 1.4	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

( • 5 Acetonitrile ) + = ( • 6)

By formula: (I^- • 5C₂H₃N) + C₂H₃N = (I^- • 6C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-2.5 ± 1.0	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 6 Acetonitrile ) + = ( • 7)

By formula: (I^- • 6C₂H₃N) + C₂H₃N = (I^- • 7C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	3.7 ± 1.1	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 7 Acetonitrile ) + = ( • 8)

By formula: (I^- • 7C₂H₃N) + C₂H₃N = (I^- • 8C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	3.0 ± 1.2	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 8 Acetonitrile ) + = ( • 9)

By formula: (I^- • 8C₂H₃N) + C₂H₃N = (I^- • 9C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.5 ± 1.4	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 9 Acetonitrile ) + = ( • 10)

By formula: (I^- • 9C₂H₃N) + C₂H₃N = (I^- • 10C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.5 ± 1.5	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 10 Acetonitrile ) + = ( • 11)

By formula: (I^- • 10C₂H₃N) + C₂H₃N = (I^- • 11C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.1 ± 1.6	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 11 Acetonitrile ) + = ( • 12)

By formula: (I^- • 11C₂H₃N) + C₂H₃N = (I^- • 12C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.1 ± 1.7	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 13 Acetonitrile ) + = ( • 14)

By formula: (I^- • 13C₂H₃N) + C₂H₃N = (I^- • 14C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-0.9 ± 1.9	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

+ Acetonitrile = ( • )

By formula: K⁺ + C₂H₃N = (K⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	24.4	kcal/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.5	cal/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • Acetonitrile ) + = ( • 2)

By formula: (K⁺ • C₂H₃N) + C₂H₃N = (K⁺ • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	20.6	kcal/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.2	cal/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 2 Acetonitrile ) + = ( • 3)

By formula: (K⁺ • 2C₂H₃N) + C₂H₃N = (K⁺ • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	18.2	kcal/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	28.3	cal/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 3 Acetonitrile ) + = ( • 4)

By formula: (K⁺ • 3C₂H₃N) + C₂H₃N = (K⁺ • 4C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.6	kcal/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.5	cal/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 4 Acetonitrile ) + = ( • 5)

By formula: (K⁺ • 4C₂H₃N) + C₂H₃N = (K⁺ • 5C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.5	kcal/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	33.7	cal/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

+ Acetonitrile = ( • )

By formula: Li⁺ + C₂H₃N = (Li⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	43.	kcal/mol	ICR	Staley and Beauchamp, 1975	gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 interpolated; M

+ Acetonitrile = ( • )

By formula: NO₂^- + C₂H₃N = (NO₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.40 ± 0.10	kcal/mol	TDAs	Sieck, 1985	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	15.3	cal/mol*K	PHPMS	Sieck, 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.80 ± 0.20	kcal/mol	TDAs	Sieck, 1985	gas phase; B

+ Acetonitrile = ( • )

By formula: Na⁺ + C₂H₃N = (Na⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	30.5 ± 1.1	kcal/mol	CIDT	Valina, 2001	RCD

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
23.6	298.	IMRE	McMahon and Ohanessian, 2000	Anchor alanine=39.89; RCD

( • Acetonitrile ) + = ( • 2)

By formula: (Na⁺ • C₂H₃N) + C₂H₃N = (Na⁺ • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	26.1 ± 1.9	kcal/mol	CIDT	Valina, 2001	RCD
Δ_rH°	24.4	kcal/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.7	cal/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 2 Acetonitrile ) + = ( • 3)

By formula: (Na⁺ • 2C₂H₃N) + C₂H₃N = (Na⁺ • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	21.2 ± 0.7	kcal/mol	CIDT	Valina, 2001	RCD
Δ_rH°	20.6	kcal/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.5	cal/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 3 Acetonitrile ) + = ( • 4)

By formula: (Na⁺ • 3C₂H₃N) + C₂H₃N = (Na⁺ • 4C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.4 ± 0.6	kcal/mol	CIDT	Valina, 2001	RCD
Δ_rH°	14.9	kcal/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.9	cal/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 4 Acetonitrile ) + = ( • 5)

By formula: (Na⁺ • 4C₂H₃N) + C₂H₃N = (Na⁺ • 5C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.6 ± 0.8	kcal/mol	CIDT	Valina, 2001	CH3CN is fifth ligand; RCD
Δ_rH°	12.7	kcal/mol	HPMS	Davidson and Kebarle, 1976	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	41.2	cal/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; Entropy change is questionable; M

+ Acetonitrile = ( • )

By formula: O₂^- + C₂H₃N = (O₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.40	kcal/mol	TDAs	Yamdagni, Payzant, et al., 1973	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.4	cal/mol*K	PHPMS	Yamdagni, Payzant, et al., 1973	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	11.20	kcal/mol	TDAs	Yamdagni, Payzant, et al., 1973	gas phase; B

( • Acetonitrile ) + = ( • 2)

By formula: (O₂^- • C₂H₃N) + C₂H₃N = (O₂^- • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.20 ± 0.70	kcal/mol	TDAs	Yamdagni, Payzant, et al., 1973	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.0	cal/mol*K	PHPMS	Yamdagni, Payzant, et al., 1973	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.70 ± 0.40	kcal/mol	TDAs	Yamdagni, Payzant, et al., 1973	gas phase; B

( • 2 Acetonitrile ) + = ( • 3)

By formula: (O₂^- • 2C₂H₃N) + C₂H₃N = (O₂^- • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.90 ± 0.60	kcal/mol	TDAs	Yamdagni, Payzant, et al., 1973	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.7	cal/mol*K	PHPMS	Yamdagni, Payzant, et al., 1973	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.50 ± 0.20	kcal/mol	TDAs	Yamdagni, Payzant, et al., 1973	gas phase; B

( • 3 Acetonitrile ) + = ( • 4)

By formula: (O₂^- • 3C₂H₃N) + C₂H₃N = (O₂^- • 4C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.50 ± 0.50	kcal/mol	TDAs	Yamdagni, Payzant, et al., 1973	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.4	cal/mol*K	PHPMS	Yamdagni, Payzant, et al., 1973	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.80 ± 0.10	kcal/mol	TDAs	Yamdagni, Payzant, et al., 1973	gas phase; B

+ Acetonitrile = ( • )

By formula: Rb⁺ + C₂H₃N = (Rb⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	20.7	kcal/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	18.1	cal/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • Acetonitrile ) + = ( • 2)

By formula: (Rb⁺ • C₂H₃N) + C₂H₃N = (Rb⁺ • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	17.7	kcal/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.9	cal/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 2 Acetonitrile ) + = ( • 3)

By formula: (Rb⁺ • 2C₂H₃N) + C₂H₃N = (Rb⁺ • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.7	kcal/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.8	cal/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 3 Acetonitrile ) + = ( • 4)

By formula: (Rb⁺ • 3C₂H₃N) + C₂H₃N = (Rb⁺ • 4C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.5	kcal/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.7	cal/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 4 Acetonitrile ) + = ( • 5)

By formula: (Rb⁺ • 4C₂H₃N) + C₂H₃N = (Rb⁺ • 5C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.1	kcal/mol	HPMS	Davidson and Kebarle, 1976	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	32.5	cal/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; Entropy change is questionable; M

References

Go To: Top, Ion clustering data, Notes

Shoieb, Aribi, et al., 2001
Shoieb, T.; Aribi, H.; Siu, K.W.M.; Hopkinson, A.C., A Study of Silver(I) Ion-Organometallic Complexes: Ion Structures, Binding Energies, and Substituent Effects, J. Phys. Chem. A, 2001, 105, 4, 710, https://doi.org/10.1021/jp002676m . [all data]

Li, Ross, et al., 1996
Li, C.; Ross, P.; Szulejko, J.; McMahon, T.B., High-Pressure Mass Spectrometric Investigations of the Potential Energy Surfaces of Gas-Phase Sn2 Reactions., J. Am. Chem. Soc., 1996, 118, 39, 9360, https://doi.org/10.1021/ja960565o . [all data]

Markovich, Perera, et al., 1996
Markovich, G.; Perera, L.; Berkowitz, M.L.; Cheshnovsky, O., The Solvation of Cl-, Br-, and I- in Acetonitrile Cluster: Photoelectron Spectroscopy and Molecular Dynamics Simulations., J. Chem. Phys., 1996, 105, 7, 2675, https://doi.org/10.1063/1.472131 . [all data]

Hiraoka, Mizuse, et al., 1988
Hiraoka, K.; Mizuse, S.; Yamabe, S., Solvation of Halide Ions with H₂O and CH₃CN in the Gas Phase, J. Phys. Chem., 1988, 92, 13, 3943, https://doi.org/10.1021/j100324a051 . [all data]

Yamdagni and Kebarle, 1972
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Notes

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Symbols used in this document:

T Temperature

Δ_rG° Free energy of reaction at standard conditions

Δ_rH° Enthalpy of reaction at standard conditions

Δ_rS° Entropy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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T	Temperature
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions