Cyanogen chloride

Formula: CClN
Molecular weight: 61.470
IUPAC Standard InChI: InChI=1S/CClN/c2-1-3
IUPAC Standard InChIKey: QPJDMGCKMHUXFD-UHFFFAOYSA-N
CAS Registry Number: 506-77-4
Chemical structure:
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Other names: CK; Chlorine cyanide; Chlorocyan; Chlorocyanide; Chlorocyanogen; CNCl; ClCN; Chlorcyan; Cyanogen chloride ((CN)Cl); Chlorure de cyanogene; Rcra waste number P033; Cyanochloride; Chlorine cyanide (ClCN); Chlorocyanide (ClCN); Cyanochloride (CNCll); Cyanogen chloride (ClCN)
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Gas phase ion energetics data

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

Data compiled as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	12.36 ± 0.02	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	722.1	kJ/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	691.5	kJ/mol	N/A	Hunter and Lias, 1998	HL

Ionization energy determinations

IE (eV)	Method	Reference	Comment
12.37	PE	Lake and Thompson, 1970	RDSH
12.34	PE	Lake and Thompson, 1970	RDSH
12.37 ± 0.02	PE	Heilbronner, Hornung, et al., 1970	RDSH
12.34 ± 0.01	PI	Dibeler and Liston, 1967	RDSH

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
CCl⁺	17.2 ± 0.2	N	EI	Herron and Dibeler, 1960	RDSH
CN⁺	18.50 ± 0.02	Cl	PI	Dibeler and Liston, 1967	RDSH
CN⁺	18.3 ± 0.2	Cl	EI	Herron and Dibeler, 1960	RDSH
CN⁺	15.5 ± 0.2	Cl^-	EI	Herron and Dibeler, 1960	RDSH
Cl⁺	17.32 ± 0.02	CN	PI	Dibeler and Liston, 1967	RDSH
Cl⁺	13.6 ± 0.1	CN^-	EI	Herron and Dibeler, 1960	RDSH

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]

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

IE (evaluated) Recommended ionization energy
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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AE	Appearance energy
IE (evaluated)	Recommended ionization energy