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:
  • Reaction thermochemistry data (reactions 51 to 100)
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data: reactions 1 to 50, reactions 101 to 150, reactions 151 to 185
  • Gas phase ion energetics data
  • Ion clustering data
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Reaction thermochemistry data

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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 51 to 100

 +  = (  )

By formula: Br^- + C₆H₆ = (Br^-  C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
rH°	38. ± 8.4	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	71.1	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
rS°	71.	J/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	10. ± 4.2	kJ/mol	IMRE	Paul and Kebarle, 1991	gas phase; B
rG°	16. ± 11.	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

Free energy of reaction

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

 +  = (  )

By formula: Br^- + C₇H₅N = (Br^-  C₇H₅N)

Quantity	Value	Units	Method	Reference	Comment
rH°	61.5 ± 7.5	kJ/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	84.	J/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	26. ± 4.2	kJ/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B

Free energy of reaction

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

 +  = (  )

By formula: Br^- + C₇H₅F₃O = (Br^-  C₇H₅F₃O)

Quantity	Value	Units	Method	Reference	Comment
rH°	108. ± 7.5	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B
rH°	52.7	kJ/mol	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rS°	84.	J/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	66.9 ± 4.2	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

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

 +  = (  )

By formula: Br^- + C₆H₇N = (Br^-  C₆H₇N)

Quantity	Value	Units	Method	Reference	Comment
rH°	61.1 ± 7.5	kJ/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	84.	J/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	26. ± 4.2	kJ/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B

Free energy of reaction

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

 +  = (  )

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

Quantity	Value	Units	Method	Reference	Comment
rH°	76.6 ± 7.5	kJ/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	84.	J/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	41. ± 4.2	kJ/mol	IMRE	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff measured at 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B

Free energy of reaction

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

(  2) +  = (  3)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	38.5 ± 1.7	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988, 2	gas phase; B,M
rH°	43.5 ± 2.9	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
rH°	41.84	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	69.9	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988, 2	gas phase; M
rS°	90.8	J/mol*K	HPMS	Yamdagni and Kebarle, 1972	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	18. ± 5.4	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988, 2	gas phase; B
rG°	15.1	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

(  ) +  = (  2)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	49.0 ± 1.7	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988, 2	gas phase; B,M
rH°	48.1 ± 2.9	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
rH°	49.37	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	71.1	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988, 2	gas phase; M
rS°	85.4	J/mol*K	HPMS	Yamdagni and Kebarle, 1972	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	28. ± 5.4	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988, 2	gas phase; B
rG°	24.3	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

 +  = (  )

By formula: Br^- + CH₄O = (Br^-  CH₄O)

Quantity	Value	Units	Method	Reference	Comment
rH°	60.67 ± 0.42	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
rH°	58.2 ± 4.2	kJ/mol	TDAs	Hiraoka and Yamabe, 1991	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	73.6	J/mol*K	PHPMS	Hiraoka and Yamabe, 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	33.5 ± 0.42	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
rG°	36. ± 8.4	kJ/mol	TDAs	Hiraoka and Yamabe, 1991	gas phase; B
rG°	35. ± 8.4	kJ/mol	IMRE	Tanabe, Morgon, et al., 1996	gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B

 +  = (  )

By formula: Br^- + C₇H₅F₃O = (Br^-  C₇H₅F₃O)

Quantity	Value	Units	Method	Reference	Comment
rH°	101.	kJ/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°	96.	J/mol*K	N/A	Paul and Kebarle, 1990	gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

Free energy of reaction

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

(  ) +  = (  2)

By formula: (Br^-  HNO₃) + HNO₃ = (Br^-  2HNO₃)

Quantity	Value	Units	Method	Reference	Comment
rH°	75.7	kJ/mol	FA	Davidson, Fehsenfeld, et al., 1977	gas phase; From thermochemical cycle(Br-/NO3- - HNO3/HBr), Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rS°	98.7	J/mol*K	N/A	Davidson, Fehsenfeld, et al., 1977	gas phase; From thermochemical cycle(Br-/NO3- - HNO3/HBr), Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	46.4	kJ/mol	FA	Davidson, Fehsenfeld, et al., 1977	gas phase; From thermochemical cycle(Br-/NO3- - HNO3/HBr), Entropy change calculated or estimated; M

(  4) +  = (  5)

By formula: (Br^-  4H₂O) + H₂O = (Br^-  5H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
rH°	45.2 ± 1.3	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988, 2	gas phase; B,M
rH°	26. ± 9.6	kJ/mol	N/A	Markovich, Pollack, et al., 1994	gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Quantity	Value	Units	Method	Reference	Comment
rS°	119.	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	9.6 ± 5.0	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988, 2	gas phase; B

(  5) +  = (  6)

By formula: (Br^-  5H₂O) + H₂O = (Br^-  6H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
rH°	43.1 ± 2.1	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988, 2	gas phase; B,M
rH°	25. ± 9.6	kJ/mol	N/A	Markovich, Pollack, et al., 1994	gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Quantity	Value	Units	Method	Reference	Comment
rS°	118.	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	7.5 ± 8.8	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988, 2	gas phase; B

(  6) +  = (  7)

By formula: (Br^-  6H₂O) + H₂O = (Br^-  7H₂O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
rH°	41.84	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988, 2	gas phase; Entropy estimated; B,M
rH°	10. ± 9.6	kJ/mol	N/A	Markovich, Pollack, et al., 1994	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
rS°	120.	J/mol*K	N/A	Hiraoka, Mizuse, et al., 1988, 2	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	5.44	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988, 2	gas phase; Entropy estimated; B

 +  = (  )

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

Quantity	Value	Units	Method	Reference	Comment
rH°	84.9 ± 7.5	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	96.	J/mol*K	N/A	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	44.4 ± 4.2	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

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

 +  = (  )

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

Quantity	Value	Units	Method	Reference	Comment
rH°	86.2 ± 7.5	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	96.	J/mol*K	N/A	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	45.6 ± 4.2	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

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

 +  = (  )

By formula: Br^- + C₇H₈O₂ = (Br^-  C₇H₈O₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	92.5 ± 7.5	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	96.	J/mol*K	N/A	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	51.9 ± 4.2	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

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

 +  = (  )

By formula: Br^- + C₇H₈O₂ = (Br^-  C₇H₈O₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	87.9 ± 7.5	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	96.	J/mol*K	N/A	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	47.3 ± 4.2	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

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

 +  = (  )

By formula: Br^- + C₆H₅FO = (Br^-  C₆H₅FO)

Quantity	Value	Units	Method	Reference	Comment
rH°	87.4 ± 7.5	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	96.	J/mol*K	N/A	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	46.9 ± 4.2	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

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

 +  = (  )

By formula: Br^- + C₆H₅FO = (Br^-  C₆H₅FO)

Quantity	Value	Units	Method	Reference	Comment
rH°	97.5 ± 7.5	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	96.	J/mol*K	N/A	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	56.9 ± 4.2	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

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

 +  = (  )

By formula: Br^- + C₆H₅FO = (Br^-  C₆H₅FO)

Quantity	Value	Units	Method	Reference	Comment
rH°	97.9 ± 7.5	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	96.	J/mol*K	N/A	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	57.3 ± 4.2	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

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

 +  = (  )

By formula: Br^- + C₆H₇NO = (Br^-  C₆H₇NO)

Quantity	Value	Units	Method	Reference	Comment
rH°	84.9 ± 7.5	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	96.	J/mol*K	N/A	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	44.4 ± 4.2	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

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

 +  = (  )

By formula: Br^- + C₆H₇NO = (Br^-  C₆H₇NO)

Quantity	Value	Units	Method	Reference	Comment
rH°	81.6 ± 7.5	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	96.	J/mol*K	N/A	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	41. ± 4.2	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

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

 +  = (  )

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

Quantity	Value	Units	Method	Reference	Comment
rH°	86.2 ± 7.5	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	96.	J/mol*K	N/A	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	45.6 ± 4.2	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

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

 +  = (  )

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

Quantity	Value	Units	Method	Reference	Comment
rH°	88.7 ± 7.5	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	96.	J/mol*K	N/A	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	48.1 ± 4.2	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

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

 +  = (  )

By formula: Br^- + C₆H₅NO₂ = (Br^-  C₆H₅NO₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	62.8 ± 7.5	kJ/mol	TDAs	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	84.5	J/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	27. ± 4.2	kJ/mol	TDAs	Paul and Kebarle, 1991	gas phase; «DELTA»Gaff at 423 K; B

Free energy of reaction

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

 +  = (  )

By formula: Br^- + HNO₃ = (Br^-  HNO₃)

Quantity	Value	Units	Method	Reference	Comment
rH°	83.7	kJ/mol	FA	Davidson, Fehsenfeld, et al., 1977	gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr), «DELTA»rH>; M
Quantity	Value	Units	Method	Reference	Comment
rS°	77.4	J/mol*K	FA	Davidson, Fehsenfeld, et al., 1977	gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr), «DELTA»rH>; M

Free energy of reaction

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

 +  = (  )

By formula: Br^- + C₆H₃N₃O₆ = (Br^-  C₆H₃N₃O₆)

Quantity	Value	Units	Method	Reference	Comment
rS°	92.	J/mol*K	N/A	Paul and Kebarle, 1991	gas phase; 1,3,5-trinitrobenzene, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	54.8 ± 4.2	kJ/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° (kJ/mol)	T (K)	Method	Reference	Comment
54.8	423.	PHPMS	Paul and Kebarle, 1991	gas phase; 1,3,5-trinitrobenzene, Entropy change calculated or estimated; M

(  ) +  = (  2)

By formula: (Br^-  CO₂) + CO₂ = (Br^-  2CO₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	21. ± 8.4	kJ/mol	PDis	Arnold, Bradforth, et al., 1995	gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B
rH°	25. ± 4.2	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	79.5	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	1. ± 8.4	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1987	gas phase; B

 +  = (  )

By formula: Br^- + CO₂ = (Br^-  CO₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	22. ± 8.4	kJ/mol	PDis	Arnold, Bradforth, et al., 1995, 2	gas phase; Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.; B
rH°	28. ± 4.2	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	69.0	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	7.5 ± 8.4	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1987	gas phase; B

(  2) +  = (  3)

By formula: (Br^-  2CH₄O) + CH₄O = (Br^-  3CH₄O)

Quantity	Value	Units	Method	Reference	Comment
rH°	39.7 ± 2.1	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
rH°	44.4 ± 4.2	kJ/mol	TDAs	Hiraoka and Yamabe, 1991	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	90.4	J/mol*K	PHPMS	Hiraoka and Yamabe, 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	17.8	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
rG°	18. ± 8.4	kJ/mol	TDAs	Hiraoka and Yamabe, 1991	gas phase; B

(  ) +  = (  2)

By formula: (Br^-  CH₄O) + CH₄O = (Br^-  2CH₄O)

Quantity	Value	Units	Method	Reference	Comment
rH°	50.21 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
rH°	52.3 ± 4.2	kJ/mol	TDAs	Hiraoka and Yamabe, 1991	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	86.6	J/mol*K	PHPMS	Hiraoka and Yamabe, 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	23.5	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
rG°	26. ± 8.4	kJ/mol	TDAs	Hiraoka and Yamabe, 1991	gas phase; B

 +  = (  )

By formula: Br^- + CH₃Br = (Br^-  CH₃Br)

Quantity	Value	Units	Method	Reference	Comment
rH°	46.9 ± 4.2	kJ/mol	TDAs	Li, Ross, et al., 1996	gas phase; B
rH°	38.5 ± 2.1	kJ/mol	TDAs	Dougherty and Roberts, 1974	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	58.6	J/mol*K	HPMS	Dougherty and Roberts, 1974	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	19.2 ± 0.84	kJ/mol	TDAs	Li, Ross, et al., 1996	gas phase; B
rG°	20.9 ± 3.3	kJ/mol	TDAs	Dougherty and Roberts, 1974	gas phase; B

 +  = C₂BrF₄^-

By formula: Br^- + C₂F₄ = C₂BrF₄^-

Quantity	Value	Units	Method	Reference	Comment
rH°	29.7 ± 2.1	kJ/mol	TDAs	Hiraoka, Mochizuki, et al., 2008	gas phase; The experimental HOF of C2F4 has been questioned as being too positive: Curtiss, Raghavachari, et al., 7374, 11CHA/DEN; B
Quantity	Value	Units	Method	Reference	Comment
rG°	9.7 ± 2.1	kJ/mol	TDAs	Hiraoka, Mochizuki, et al., 2008	gas phase; The experimental HOF of C2F4 has been questioned as being too positive: Curtiss, Raghavachari, et al., 7374, 11CHA/DEN; B

 +  = (  )

By formula: Br^- + C₄H₉Br = (Br^-  C₄H₉Br)

Quantity	Value	Units	Method	Reference	Comment
rH°	65.3 ± 4.2	kJ/mol	TDAs	Li, Ross, et al., 1996	gas phase; B
rH°	51.88	kJ/mol	TDAs	Dougherty, 1974	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	80.8	J/mol*K	HPMS	Dougherty, 1974	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	30.5 ± 0.84	kJ/mol	TDAs	Li, Ross, et al., 1996	gas phase; B
rG°	28.0	kJ/mol	TDAs	Dougherty, 1974	gas phase; B

 +  = (  )

By formula: Br^- + C₂H₅Br = (Br^-  C₂H₅Br)

Quantity	Value	Units	Method	Reference	Comment
rH°	50.2 ± 4.2	kJ/mol	TDAs	Li, Ross, et al., 1996	gas phase; B
rH°	48.53	kJ/mol	TDAs	Dougherty, 1974	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	80.3	J/mol*K	HPMS	Dougherty, 1974	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	24.7 ± 0.84	kJ/mol	TDAs	Li, Ross, et al., 1996	gas phase; B
rG°	24.7	kJ/mol	TDAs	Dougherty, 1974	gas phase; B

 +  = (  )

By formula: Br^- + C₃H₇Br = (Br^-  C₃H₇Br)

Quantity	Value	Units	Method	Reference	Comment
rH°	59.4 ± 4.2	kJ/mol	TDAs	Li, Ross, et al., 1996	gas phase; B
rH°	51.04	kJ/mol	TDAs	Dougherty, 1974	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	83.3	J/mol*K	HPMS	Dougherty, 1974	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	26.4 ± 0.84	kJ/mol	TDAs	Li, Ross, et al., 1996	gas phase; B
rG°	26.4	kJ/mol	TDAs	Dougherty, 1974	gas phase; B

 +  = (  )

By formula: Br^- + C₆H₅NO = (Br^-  C₆H₅NO)

Quantity	Value	Units	Method	Reference	Comment
rH°	57.3 ± 7.5	kJ/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
Quantity	Value	Units	Method	Reference	Comment
rG°	22. ± 4.2	kJ/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

 +  = (  )

By formula: Br^- + Xe = (Br^-  Xe)

Quantity	Value	Units	Method	Reference	Comment
rH°	15.1 ± 1.3	kJ/mol	TDAs	Wada, Kikkawa, et al., 2007	gas phase; B
rH°	12.1 ± 0.42	kJ/mol	LPES	Yourshaw, Lenzer, et al., 1998	gas phase; Given: 0.12692(.0005) eV; B
rH°	14.2	kJ/mol	Mobl	Gatland, 1984	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rG°	-4.9 ± 1.3	kJ/mol	TDAs	Wada, Kikkawa, et al., 2007	gas phase; B

 +  = (  )

By formula: Br^- + CHN = (Br^-  CHN)

Quantity	Value	Units	Method	Reference	Comment
rH°	81.2 ± 4.2	kJ/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
rH°	66.9 ± 8.4	kJ/mol	Est	Larson and McMahon, 1984	gas phase; Extrapolated from other halide data; B
Quantity	Value	Units	Method	Reference	Comment
rS°	82.8	J/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	56.5 ± 6.7	kJ/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

 +  = (  )

By formula: Br^- + C₇H₆O = (Br^-  C₇H₆O)

Quantity	Value	Units	Method	Reference	Comment
rH°	55.2	kJ/mol	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rS°	84.	J/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

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

(  ) +  = (    )

By formula: (Br^-  O₂S) + HBr = (Br^-  HBr  O₂S)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
rH°	51.0	kJ/mol	PHPMS	Caldwell and Kebarle, 1985	gas phase; From thermochemical cycle,switching reaction(Br- HBr)SO2; M
Quantity	Value	Units	Method	Reference	Comment
rS°	80.3	J/mol*K	PHPMS	Caldwell and Kebarle, 1985	gas phase; From thermochemical cycle,switching reaction(Br- HBr)SO2; M

(  ) +  = (    )

By formula: (Br^-  O₂S) + HCl = (Br^-  HCl  O₂S)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
rH°	93.7	kJ/mol	PHPMS	Caldwell and Kebarle, 1985	gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M
Quantity	Value	Units	Method	Reference	Comment
rS°	77.8	J/mol*K	PHPMS	Caldwell and Kebarle, 1985	gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M

(  9) +  = (  10)

By formula: (Br^-  9CH₄O) + CH₄O = (Br^-  10CH₄O)

Quantity	Value	Units	Method	Reference	Comment
rH°	33. ± 4.2	kJ/mol	TDAs	Hiraoka and Yamabe, 1991	gas phase; Entropy estimated.; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	96.	J/mol*K	N/A	Hiraoka and Yamabe, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	4.6 ± 8.4	kJ/mol	TDAs	Hiraoka and Yamabe, 1991	gas phase; Entropy estimated.; B

 +  = (  )

By formula: Br^- + HCl = (Br^-  HCl)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
rH°	82.0 ± 8.4	kJ/mol	TDEq	Caldwell and Kebarle, 1985	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	92.0	J/mol*K	PHPMS	Caldwell and Kebarle, 1985	gas phase; switching reaction(Br-)SO2; M
Quantity	Value	Units	Method	Reference	Comment
rG°	54. ± 11.	kJ/mol	TDEq	Caldwell and Kebarle, 1985	gas phase; B

(  8) +  = (  9)

By formula: (Br^-  8CH₄O) + CH₄O = (Br^-  9CH₄O)

Quantity	Value	Units	Method	Reference	Comment
rH°	34. ± 4.2	kJ/mol	TDAs	Hiraoka and Yamabe, 1991	gas phase; Entropy estimated.; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	96.	J/mol*K	N/A	Hiraoka and Yamabe, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	5.4 ± 8.4	kJ/mol	TDAs	Hiraoka and Yamabe, 1991	gas phase; Entropy estimated.; B

(  4) +  = (  5)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	35.6 ± 1.3	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988, 2	gas phase; B,M
rH°	24.3 ± 3.8	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
rS°	92.9	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	7.5 ± 5.4	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988, 2	gas phase; B

(  5) +  = (  6)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	33.5 ± 0.84	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988, 2	gas phase; B,M
rH°	23. ± 4.2	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
rS°	94.1	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	5.0 ± 3.8	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988, 2	gas phase; B

(  6) +  = (  7)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	32.2 ± 1.3	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988, 2	gas phase; B,M
rH°	13. ± 4.6	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
rS°	95.8	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	3. ± 5.4	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988, 2	gas phase; B

 +  = (  )

By formula: Br^- + H₃N = (Br^-  H₃N)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
rH°	32.2 ± 0.42	kJ/mol	TDAs	Evans, Keesee, et al., 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	79.9	J/mol*K	HPMS	Evans, Keesee, et al., 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	8.37 ± 0.84	kJ/mol	TDAs	Evans, Keesee, et al., 1987	gas phase; B

 +  = (  )

By formula: Br^- + C₂H₆OS = (Br^-  C₂H₆OS)

Quantity	Value	Units	Method	Reference	Comment
rH°	72.38	kJ/mol	TDAs	Magnera, Caldwell, et al., 1984	gas phase; B,M
rH°	72.0	kJ/mol	HPMS	Caldwell, Masucci, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rS°	89.5	J/mol*K	PHPMS	Magnera, Caldwell, et al., 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	45.61	kJ/mol	TDAs	Magnera, Caldwell, et al., 1984	gas phase; B

References

Go To: Top, Reaction thermochemistry data, Notes

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

Hiraoka, Mizuse, et al., 1988
Hiraoka, K.; Mizuse, S.; Yamabe, S., Determination of the Stabilities and Structures of X-(C6H6) Clusters (X = Cl, Br, and I), Chem. Phys. Lett., 1988, 147, 2-3, 174, https://doi.org/10.1016/0009-2614(88)85078-4 . [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]

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]

Hiraoka, Mizuse, et al., 1988, 2
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, 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]

Bogdanov, Peschke, et al., 1999
Bogdanov, B.; Peschke, M.; Tonner, D.S.; Szulejko, J.E.; McMahon, T.B., Stepwise solvation of halides by alcohol molecules in the gas phase, Int. J. Mass Spectrom., 1999, 187, 707-725, https://doi.org/10.1016/S1387-3806(98)14180-5 . [all data]

Hiraoka and Yamabe, 1991
Hiraoka, K.; Yamabe, S., Solvation of Halide Ions with CH3OH in the gas Phase, Int. J. Mass Spectrom. Ion Proc., 1991, 109, 133, https://doi.org/10.1016/0168-1176(91)85101-Q . [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]

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]

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]

Arnold, Bradforth, et al., 1995
Arnold, D.W.; Bradforth, S.E.; Kim, E.H.; Neumark, D.M., Study of I-(CO2)n, Br-(CO2)n, and I-(N2O)n clusters by anion photoelectron spectroscopy, J. Chem. Phys., 1995, 102, 9, 3510, https://doi.org/10.1063/1.468576 . [all data]

Hiraoka, Mizuse, et al., 1987
Hiraoka, K.; Mizuse, S.; Yamabe, S., Stability and Structure of Cluster Ions: Halide Ions with CO2, J. Chem. Phys., 1987, 87, 6, 3647, https://doi.org/10.1063/1.452962 . [all data]

Arnold, Bradforth, et al., 1995, 2
Arnold, D.W.; Bradforth, S.E.; Kim, E.H.; Neumark, D.M., Study of halogen carbon dioxide clusters and the fluoroformyloxyl radical by photodetachment of X(-)(CO2) (X=I,Cl,Br) and FCO2-, J. Chem. Phys., 1995, 102, 9, 3493, https://doi.org/10.1063/1.468575 . [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]

Dougherty and Roberts, 1974
Dougherty, R.C.; Roberts, J.D., SN₂ reactions in the gas phase. Nucleophilicity effects, Org. Mass Spectrom., 1974, 8, 81. [all data]

Hiraoka, Mochizuki, et al., 2008
Hiraoka, K.; Mochizuki, N.; Wada, A.; Okada, H.; Ichikawa, T.; Asakawa, D.; Yazawa, I., Gas-phase ion/molecule reactions in C2F4, Int. J. Mass Spectrom., 2008, 272, 1, 22-28, https://doi.org/10.1016/j.ijms.2007.12.013 . [all data]

Curtiss, Raghavachari, et al., 7374
Curtiss, L.A.; Raghavachari, K.; Redfern, P.C.; Pople, J.A., Assesment of Gaussian-3 and density Functional Theories for a larger experimental test set, J. Chem. Phys. 112 (2000), 7374. [all data]

Dougherty, 1974
Dougherty, R.C., SN₂ reactions in the gas phase. Alkyl group structural effects, Org. Mass Spectrom., 1974, 8, 85. [all data]

Wada, Kikkawa, et al., 2007
Wada, A.; Kikkawa, A.; Sugiyama, T.; Hiraoka, K., Thermochemical Stabilities of the Gas-phase Cluster Ions of Halide Ions with Rare Gas Atoms, Int. J. Mass Spectrom.., 2007, 267, 1-3, 284-287, https://doi.org/10.1016/j.ijms.2007.02.053 . [all data]

Yourshaw, Lenzer, et al., 1998
Yourshaw, I.; Lenzer, T.; Reiser, G.; Neumark, D.M., Zero electron kinetic energy spectroscopy of the KrBr-, XeBr-, and KrCl- anions, J. Chem. Phys., 1998, 109, 13, 5247-5256, https://doi.org/10.1063/1.477141 . [all data]

Gatland, 1984
Gatland, I.R., Determination of Ion-Atom Potentials from Mobility Experiments. in Swarms of Ions and Electrons In Gases, W. Lindinger, Ed., Springer-Verlag, NY,, 1984, 44. [all data]

Meot-ner, Cybulski, et al., 1988
Meot-ner, M.; Cybulski, S.M.; Scheiner, S.; Liebman, J.F., Is CN^- Significantly Anisotropic? Comparison of CN^- vs. Cl^-: Clustering with HCN and Condensed Phase Thermochemistry, J. Phys. Chem., 1988, 92, 10, 2738, https://doi.org/10.1021/j100321a009 . [all data]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Gas phase bihalide and pseudohalide ions. An ICR determination of hydrogen bond energies in XHY- species (X,Y = F, Cl, Br, CN), Inorg. Chem., 1984, 23, 2029. [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]

Evans, Keesee, et al., 1987
Evans, D.H.; Keesee, R.G.; Castleman Jr., The Association of Ammonia with Halide Ions in the Gas Phase, J. Chem. Phys., 1987, 86, 5, 2927, https://doi.org/10.1063/1.452043 . [all data]

Magnera, Caldwell, et al., 1984
Magnera, T.F.; Caldwell, G.; Sumner, J.; Ikuta, S.; Kebarle, P., Solvation of the halide anions in dimethyl sulfoxide. Factors involved in enhanced reactivity of negative ions in dipolar aprotic solvents, J. Am. Chem. Soc., 1984, 106, 6140. [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]

Notes

Go To: Top, Reaction thermochemistry data, References

• Symbols used in this document:
  

  T	Temperature
  rG°	Free energy of reaction at standard conditions
  rH°	Enthalpy of reaction at standard conditions
  rS°	Entropy of reaction at standard conditions

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