Bromine anion

• Formula: Br^-
• Molecular weight: 79.905
• IUPAC Standard InChI:
  

  InChI=1S/BrH/h1H/p-1 Download the identifier in a file.

• IUPAC Standard InChIKey: CPELXLSAUQHCOX-UHFFFAOYSA-M
• CAS Registry Number: 24959-67-9
• Chemical structure:
  This structure is also available as a 2d Mol file
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• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data (reactions 1 to 50)
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data: reactions 51 to 100, reactions 101 to 150, reactions 151 to 185
  • Gas phase ion energetics data
  • Ion clustering data
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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Reactions 1 to 50

(  ) +  = (  2)

By formula: (Br^-  H₂O) + H₂O = (Br^-  2H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
rH°	11.60 ± 0.30	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
rH°	12.20	kcal/mol	N/A	Markovich, Pollack, et al., 1994	gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
rH°	12.3 ± 1.0	kcal/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B
rH°	12.3 ± 1.0	kcal/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	18.0	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
rS°	22.9	cal/mol*K	HPMS	Arshadi, Yamdagni, et al., 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	6.2 ± 1.0	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
rG°	5.4 ± 1.4	kcal/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B
rG°	5.40	kcal/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B
rG°	5.7 ± 2.0	kcal/mol	TDAs	Kebarle, Arshadi, et al., 1968	gas phase; B,M

(  2) +  = (  3)

By formula: (Br^-  2H₂O) + H₂O = (Br^-  3H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
rH°	11.40 ± 0.30	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
rH°	6.90	kcal/mol	N/A	Markovich, Pollack, et al., 1994	gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
rH°	11.5 ± 1.0	kcal/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B
rH°	11.5 ± 1.0	kcal/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.5	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
rS°	24.8	cal/mol*K	HPMS	Arshadi, Yamdagni, et al., 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	4.7 ± 1.1	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
rG°	4.1 ± 1.4	kcal/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase; B
rG°	4.10	kcal/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B
rG°	4.4 ± 2.0	kcal/mol	TDAs	Kebarle, Arshadi, et al., 1968	gas phase; B,M

 +  = (  )

By formula: Br^- + H₂O = (Br^-  H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
rH°	12.70	kcal/mol	N/A	Markovich, Pollack, et al., 1994	gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
rH°	11.70 ± 0.40	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
rH°	12.60	kcal/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B,M
rH°	12.7	kcal/mol	HPMS	Caldwell, Masucci, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rS°	14.7	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
rS°	18.4	cal/mol*K	HPMS	Arshadi, Yamdagni, et al., 1970	gas phase; M
rS°	19.8	cal/mol*K	MS	Burdett and Hayhurst, 1982	gas phase; FLAME SOURCE, 1600 K; M
Quantity	Value	Units	Method	Reference	Comment
rG°	7.30 ± 0.80	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
rG°	7.0 ± 2.8	kcal/mol	TDAs	Burdett and Hayhurst, 1982	gas phase; B
rG°	7.0 ± 2.0	kcal/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B

 +  = (  )

By formula: Br^- + C₇H₆O₂ = (Br^-  C₇H₆O₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	25.8 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B,M,M
Quantity	Value	Units	Method	Reference	Comment
rS°	23.	cal/mol*K	N/A	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
rS°	23.	cal/mol*K	N/A	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	16.1 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
15.4	423.	PHPMS	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
16.1	423.	PHPMS	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

 +  = (  )

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

Quantity	Value	Units	Method	Reference	Comment
rH°	14.3 ± 1.0	kcal/mol	TDAs	Li, Ross, et al., 1996	gas phase; B
rH°	12.10 ± 0.40	kcal/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
rH°	12.90 ± 0.40	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
rH°	12.9 ± 2.0	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
rH°	12.9	kcal/mol	HPMS	Caldwell, Masucci, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rS°	12.2	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
rS°	16.5	cal/mol*K	HPMS	Yamdagni and Kebarle, 1972	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	8.70 ± 0.20	kcal/mol	TDAs	Li, Ross, et al., 1996	gas phase; B
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
rG°	9.20 ± 0.70	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
rG°	8.0 ± 2.0	kcal/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

 +  = (  )

By formula: Br^- + C₇H₅F₃ = (Br^-  C₇H₅F₃)

Quantity	Value	Units	Method	Reference	Comment
rH°	12.6 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B
rH°	25.7	kcal/mol	PHPMS	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rS°	23.	cal/mol*K	N/A	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	4.1 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
16.0	423.	PHPMS	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₆H₆O = (Br^-  C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
rH°	20.8 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B,M
rH°	19.6	kcal/mol	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rS°	20.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
rS°	23.	cal/mol*K	N/A	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	11.1 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
11.1	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
11.1	423.	PHPMS	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + HBr = (Br^-  HBr)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
rH°	20.6 ± 2.0	kcal/mol	TDAs	Caldwell and Kebarle, 1985	gas phase; B,M
rH°	17.5	kcal/mol	FA	Davidson, Fehsenfeld, et al., 1977	gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr); DG>, «DELTA»rH>; M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.3	cal/mol*K	PHPMS	Caldwell and Kebarle, 1985	gas phase; M
rS°	22.	cal/mol*K	FA	Davidson, Fehsenfeld, et al., 1977	gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr); DG>, «DELTA»rH>; M
Quantity	Value	Units	Method	Reference	Comment
rG°	13.9 ± 2.6	kcal/mol	TDAs	Caldwell and Kebarle, 1985	gas phase; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
9.4	367.	FA	Davidson, Fehsenfeld, et al., 1977	gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr); DG>, «DELTA»rH>; M

(  3) +  = (  4)

By formula: (Br^-  3H₂O) + H₂O = (Br^-  4H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
rH°	11.00 ± 0.20	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
rH°	6.2 ± 2.3	kcal/mol	N/A	Markovich, Pollack, et al., 1994	gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
rH°	10.9 ± 1.0	kcal/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	26.2	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
rS°	26.8	cal/mol*K	HPMS	Arshadi, Yamdagni, et al., 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	3.10 ± 0.70	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
rG°	2.90	kcal/mol	TDAs	Arshadi, Yamdagni, et al., 1970	gas phase; B
rG°	3.3 ± 2.0	kcal/mol	TDAs	Kebarle, Arshadi, et al., 1968	gas phase; B,M

 +  =

By formula: Br^- + H⁺ = HBr

Quantity	Value	Units	Method	Reference	Comment
rH°	323.540 ± 0.050	kcal/mol	D-EA	Blondel, Cacciani, et al., 1989	gas phase; reported: 27129.170±0.015 cm-1; B
rH°	323.4 ± 2.1	kcal/mol	G+TS	Taft and Bordwell, 1988	gas phase; B
rH°	320.60	kcal/mol	N/A	Check, Faust, et al., 2001	gas phase; F-; ; «DELTA»S(acid)=19.2; «DELTA»S(EA)=6.4; B
Quantity	Value	Units	Method	Reference	Comment
rG°	318.30 ± 0.15	kcal/mol	H-TS	Blondel, Cacciani, et al., 1989	gas phase; reported: 27129.170±0.015 cm-1; B
rG°	318.2 ± 2.0	kcal/mol	IMRE	Taft and Bordwell, 1988	gas phase; B
rG°	315.40	kcal/mol	N/A	Check, Faust, et al., 2001	gas phase; F-; ; «DELTA»S(acid)=19.2; «DELTA»S(EA)=6.4; B

 +  = (  )

By formula: Br^- + C₇H₇NO₂ = (Br^-  C₇H₇NO₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	15.5 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	6.1 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
6.1	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₇H₇NO₂ = (Br^-  C₇H₇NO₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	16.2 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	6.8 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
6.8	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₇H₃F₃N₂O₄ = (Br^-  C₇H₃F₃N₂O₄)

Quantity	Value	Units	Method	Reference	Comment
rH°	19.8 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; 3,5-dinitrobenzofluoride, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	10.4 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
10.4	423.	PHPMS	Paul and Kebarle, 1991	gas phase; 3,5-dinitrobenzofluoride, Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₇H₃N₃O₄ = (Br^-  C₇H₃N₃O₄)

Quantity	Value	Units	Method	Reference	Comment
rH°	21.6 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; 3,5-dinitrobenzonitrile, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	12.2 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
12.2	423.	PHPMS	Paul and Kebarle, 1991	gas phase; 3,5-dinitrobenzonitrile, Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₈H₃F₆NO₂ = (Br^-  C₈H₃F₆NO₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	17.6 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; 3,5-(CF3)-nitrobenzene, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	8.2 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
8.2	423.	PHPMS	Paul and Kebarle, 1991	gas phase; 3,5-(CF3)-nitrobenzene, Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₇H₈O = (Br^-  C₇H₈O)

Quantity	Value	Units	Method	Reference	Comment
rH°	11.8 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	20.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	3.3 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
3.3	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₆H₅Cl = (Br^-  C₆H₅Cl)

Quantity	Value	Units	Method	Reference	Comment
rH°	11.1 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	20.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	2.6 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
2.6	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₈H₁₁N = (Br^-  C₈H₁₁N)

Quantity	Value	Units	Method	Reference	Comment
rH°	11.7 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	20.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	3.2 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
3.2	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₆H₅F = (Br^-  C₆H₅F)

Quantity	Value	Units	Method	Reference	Comment
rH°	10.6 ± 1.6	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	20.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	2.1 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
2.1	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₇H₈ = (Br^-  C₇H₈)

Quantity	Value	Units	Method	Reference	Comment
rH°	8.6 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	20.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	0.1 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
0.1	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₇H₅Cl₃ = (Br^-  C₇H₅Cl₃)

Quantity	Value	Units	Method	Reference	Comment
rH°	12.4 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	20.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	3.9 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
3.9	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₈H₈O = (Br^-  C₈H₈O)

Quantity	Value	Units	Method	Reference	Comment
rH°	14.1 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	20.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	5.6 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
5.6	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

(  3) +  = (  4)

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

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

 +  = (  )

By formula: Br^- + C₆H₅NO₃ = (Br^-  C₆H₅NO₃)

Quantity	Value	Units	Method	Reference	Comment
rH°	28.4 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	23.	cal/mol*K	N/A	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	18.7 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
18.7	423.	PHPMS	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₇H₆O₂ = (Br^-  C₇H₆O₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	25.2 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	23.	cal/mol*K	N/A	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	15.5 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
15.5	423.	PHPMS	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₆H₅ClO = (Br^-  C₆H₅ClO)

Quantity	Value	Units	Method	Reference	Comment
rH°	24.4 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	23.	cal/mol*K	N/A	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	14.7 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
14.7	423.	PHPMS	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₆H₅ClO = (Br^-  C₆H₅ClO)

Quantity	Value	Units	Method	Reference	Comment
rH°	24.1 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	23.	cal/mol*K	N/A	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	14.4 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
14.4	423.	PHPMS	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₆H₄FNO₂ = (Br^-  C₆H₄FNO₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	17.6 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	8.2 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
8.2	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + CF₃C₆H₄OH = (Br^-  CF₃C₆H₄OH)

Quantity	Value	Units	Method	Reference	Comment
rH°	26.6 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	23.	cal/mol*K	N/A	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	16.9 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
16.9	423.	PHPMS	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₆H₄N₂O₄ = (Br^-  C₆H₄N₂O₄)

Quantity	Value	Units	Method	Reference	Comment
rH°	21.0 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	11.6 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
11.6	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₆H₅NO₃ = (Br^-  C₆H₅NO₃)

Quantity	Value	Units	Method	Reference	Comment
rH°	27.4 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	23.	cal/mol*K	N/A	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	17.7 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
17.7	423.	PHPMS	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₇H₅NO = (Br^-  C₇H₅NO)

Quantity	Value	Units	Method	Reference	Comment
rH°	27.0 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	23.	cal/mol*K	N/A	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	17.3 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
17.3	423.	PHPMS	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₇H₄N₂O₂ = (Br^-  C₇H₄N₂O₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	20.9 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	11.5 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
11.5	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₇H₄N₂O₂ = (Br^-  C₇H₄N₂O₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	20.5 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	11.1 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
11.1	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₇H₅NO = (Br^-  C₇H₅NO)

Quantity	Value	Units	Method	Reference	Comment
rH°	27.8 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	23.	cal/mol*K	N/A	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	18.1 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
18.1	423.	PHPMS	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₆HF₅O = (Br^-  C₆HF₅O)

Quantity	Value	Units	Method	Reference	Comment
rH°	25.6 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	23.	cal/mol*K	N/A	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	15.9 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
15.9	423.	PHPMS	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₇H₅NO = (Br^-  C₇H₅NO)

Quantity	Value	Units	Method	Reference	Comment
rH°	27.4 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	23.	cal/mol*K	N/A	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	17.7 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
17.7	423.	PHPMS	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₆H₄ClNO₂ = (Br^-  C₆H₄ClNO₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	16.1 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	6.7 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
6.7	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₆H₄N₂O₄ = (Br^-  C₆H₄N₂O₄)

Quantity	Value	Units	Method	Reference	Comment
rH°	18.6 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	9.2 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
9.2	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₆H₄ClNO₂ = (Br^-  C₆H₄ClNO₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	17.5 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	8.1 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
8.1	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₆H₄FNO₂ = (Br^-  C₆H₄FNO₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	15.8 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	6.4 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
6.4	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₇H₄F₃NO₂ = (Br^-  C₇H₄F₃NO₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	19.2 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	9.8 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
9.1	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₇H₄F₃NO₂ = (Br^-  C₇H₄F₃NO₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	16.4 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	7.0 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.0	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₆H₄FNO₂ = (Br^-  C₆H₄FNO₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	17.3 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	7.9 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.9	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₇H₅NO₃ = (Br^-  C₇H₅NO₃)

Quantity	Value	Units	Method	Reference	Comment
rH°	18.5 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	9.1 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
9.1	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₇H₄N₂O₂ = (Br^-  C₇H₄N₂O₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	18.6 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	9.2 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
9.2	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₇H₅NO₃ = (Br^-  C₇H₅NO₃)

Quantity	Value	Units	Method	Reference	Comment
rH°	19.7 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	10.3 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
10.3	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₆H₄N₂O₄ = (Br^-  C₆H₄N₂O₄)

Quantity	Value	Units	Method	Reference	Comment
rH°	20.3 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	10.9 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
10.9	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₆H₄ClNO₂ = (Br^-  C₆H₄ClNO₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	17.1 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	7.7 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.7	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

 +  = (  )

By formula: Br^- + C₇H₇NO₂ = (Br^-  C₇H₇NO₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	15.9 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	6.5 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
6.1	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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]

Markovich, Pollack, et al., 1994
Markovich, G.; Pollack, S.; Giniger, R.; Cheshnovsky, O., Photoelectron spectroscopy of Cl-, Br-, and I- solvated in water clusters, J. Chem. Phys., 1994, 101, 11, 9344, https://doi.org/10.1063/1.467965 . [all data]

Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P., Hydration of CN-, NO₂-, NO₃-, and HO- in the gas phase, Can. J. Chem., 1971, 49, 3308. [all data]

Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P., Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions, J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014 . [all data]

Kebarle, Arshadi, et al., 1968
Kebarle, P.; Arshadi, M.; Scarborough, J., Hydration of Negative Ions in the Gas Phase, J. Chem. Phys., 1968, 49, 2, 817, https://doi.org/10.1063/1.1670145 . [all data]

Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G., Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions, Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103 . [all data]

Burdett and Hayhurst, 1982
Burdett, N.A.; Hayhurst, A.N., Hydration of gas phase ions and the measurement of boundary layer cooling during flame sampling into a mass spectrometer., J. Chem. Soc. Faraday Trans. 1, 1982, 78, 2997. [all data]

Paul and Kebarle, 1990
Paul, G.J.C.; Kebarle, P., Stabilities in the Gas Phase of the Hydrogen Bonded Complexes, YC6H4OH-X-, of Substituted Phenols, YC6H4OH, with the Halide Anions X-(Cl-, Br-), Can. J. Chem., 1990, 68, 11, 2070, https://doi.org/10.1139/v90-316 . [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]

Yamdagni and Kebarle, 1972
Yamdagni, R.; Kebarle, P., Solvation of negative ions by protic and aprotic solvents. Gas phase solvation of halide ions by acetonitrile and water molecules, J. Am. Chem. Soc., 1972, 94, 2940. [all data]

Tanabe, Morgon, et al., 1996
Tanabe, F.K.J.; Morgon, N.H.; Riveros, J.M., Relative Bromide and Iodide Affinity of Simple Solvent Molecules Determined by FT-ICR, J. Phys. Chem., 1996, 100, 8, 2862-2866, https://doi.org/10.1021/jp952290p . [all data]

Hiraoka, Mizure, et al., 1988
Hiraoka, K.; Mizure, S.; Yamabe, S.; Nakatsuji, Y., Gas Phase Clustering Reactions of CN^- and CH₂CN^- with MeCN, Chem. Phys. Lett., 1988, 148, 6, 497, https://doi.org/10.1016/0009-2614(88)80320-8 . [all data]

Paul and Kebarle, 1991
Paul, G.J.C.; Kebarle, P., Stabilities of Complexes of Br- with Substituted Benzenes (SB) Based on Determinations of the Gas-Phase Equilibria Br- + SB = (BrSB)-, J. Am. Chem. Soc., 1991, 113, 4, 1148, https://doi.org/10.1021/ja00004a014 . [all data]

Caldwell and Kebarle, 1985
Caldwell, G.; Kebarle, P., The hydrogen bond energies of the bihalide ions XHX- and YHX-, Can. J. Chem., 1985, 63, 1399. [all data]

Davidson, Fehsenfeld, et al., 1977
Davidson, J.A.; Fehsenfeld, F.C.; Howard, C.J., The heats of formation of NO₃- and NO₃- association complexes with HNO₃ and HBr, Int. J. Chem. Kinet., 1977, 9, 17. [all data]

Blondel, Cacciani, et al., 1989
Blondel, C.; Cacciani, P.; Delsart, C.; Trainham, R., High Resolution Determination of the Electron Affinity of Fluorine and Bromine using Crossed Ion and Laser Beams, Phys. Rev. A, 1989, 40, 7, 3698, https://doi.org/10.1103/PhysRevA.40.3698 . [all data]

Taft and Bordwell, 1988
Taft, R.W.; Bordwell, F.G., Structural and Solvent Effects Evaluated from Acidities Measured in Dimethyl Sulfoxide and in the Gas Phase, Acc. Chem. Res., 1988, 21, 12, 463, https://doi.org/10.1021/ar00156a005 . [all data]

Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S., Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements, J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References

• Symbols used in this document:
  

  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  T	Temperature
  rG°	Free energy of reaction at standard conditions
  rH°	Enthalpy of reaction at standard conditions
  rS°	Entropy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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