Cyanogen bromide

Formula: CBrN
Molecular weight: 105.921
IUPAC Standard InChI: InChI=1S/CBrN/c2-1-3
IUPAC Standard InChIKey: ATDGTVJJHBUTRL-UHFFFAOYSA-N
CAS Registry Number: 506-68-3
Chemical structure:
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Other names: Bromine cyanide; Bromocyan; Bromocyanide; Bromocyanogen; Campilit; Cyanobromide; Cyanogen monobromide; BrCN; (CN)Br; Bromine cyanide (BrCN); Bromocyanide (BrCN); Bromure de cyanogen; Cyanogen bromide (BrCN); TL 822; Cyanogen bromide ((CN)Br); Rcra waste number U246; UN 1889; Bromine monocyanide; NSC 89684
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Gas phase ion energetics data

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Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	749.8	kJ/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	719.2	kJ/mol	N/A	Hunter and Lias, 1998	HL

Ionization energy determinations

IE (eV)	Method	Reference	Comment
12. ± 1.	EI	Ibuki, Hiraya, et al., 1996	LL
11.88	PE	Lake and Thompson, 1970	RDSH
11.85 ± 0.02	PE	Heilbronner, Hornung, et al., 1970	RDSH
11.84 ± 0.01	PI	Dibeler and Liston, 1967	RDSH

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
Br⁺	45. ± 2.	C⁺(N⁺)	PIPECO	Ibuki, Hiraya, et al., 1996	LL
Br⁺	16. ± 1.	CN	EI	Ibuki, Hiraya, et al., 1996	LL
Br⁺	15.52 ± 0.02	CN	PI	Dibeler and Liston, 1967	RDSH
Br⁺	11.9 ± 0.2	CN^-	EI	Herron and Dibeler, 1960	RDSH
C⁺	25. ± 1.	Br+N	EI	Ibuki, Hiraya, et al., 1996	LL
CBr⁺	21. ± 1.	N	EI	Ibuki, Hiraya, et al., 1996	LL
CBr⁺	17.4 ± 0.2	N	EI	Herron and Dibeler, 1960	RDSH
CN⁺	19. ± 1.	Br	EI	Ibuki, Hiraya, et al., 1996	LL
CN⁺	14.6 ± 0.1	Br^-	EI	Herron and Dibeler, 1960	RDSH
CN⁺	18.3 ± 0.1	Br	EI	Herron and Dibeler, 1960	RDSH
N⁺	28. ± 2.	Br+C	EI	Ibuki, Hiraya, et al., 1996	LL

References

Go To: Top, Gas phase ion energetics data, Notes

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Ibuki, Hiraya, et al., 1996
Ibuki, T.; Hiraya, A.; Olney, T.N.; Brion, C.E., Ionic photofragmentation (11.5-160 eV) and PIPICO spectroscopy (40-130 eV) of BrCN in the valence shell and bromine 3d regions, Chem. Phys., 1996, 203, 359. [all data]

Lake and Thompson, 1970
Lake, R.F.; Thompson, H., The photoelectron spectra of some molecules containing the C N group, Proc. Roy. Soc. (London), 1970, A317, 187. [all data]

Heilbronner, Hornung, et al., 1970
Heilbronner, E.; Hornung, V.; Muszkat, K.A., Die Photoelektron-Spektren von Chlor-, Brom- und Jodcyan, Helv. Chim. Acta, 1970, 53, 347. [all data]

Dibeler and Liston, 1967
Dibeler, V.H.; Liston, S.K., Mass-spectrometric study of photoionization. VIII.Dicyanogen and the cyanogen halides, J. Chem. Phys., 1967, 47, 4548. [all data]

Herron and Dibeler, 1960
Herron, J.T.; Dibeler, V.H., Electron impact study of the cyanogen halides, J. Am. Chem. Soc., 1960, 82, 1555. [all data]

Notes

Go To: Top, Gas phase ion energetics data, References

Symbols used in this document:

AE Appearance energy
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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