Carbon Tetrachloride

Formula: CCl₄
Molecular weight: 153.823
IUPAC Standard InChI: InChI=1S/CCl4/c2-1(3,4)5
IUPAC Standard InChIKey: VZGDMQKNWNREIO-UHFFFAOYSA-N
CAS Registry Number: 56-23-5
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Methane, tetrachloro-; Benzinoform; Carbon chloride (CCl4); Carbona; Fasciolin; Flukoids; Freon 10; Necatorina; Perchloromethane; Tetrachlorocarbon; Tetrachloromethane; Tetrafinol; Tetraform; Tetrasol; Univerm; Vermoestricid; CCl4; Benzenoform; Carbon tet; Methane tetrachloride; Czterochlorek wegla; ENT 4,705; Halon 1040; Necatorine; R 10; Tetrachloorkoolstof; Tetrachloormetaan; Tetrachlorkohlenstoff, tetra; Tetrachlormethan; Tetrachlorure de carbone; Tetraclorometano; Tetracloruro di carbonio; Chlorid uhlicity; ENT 27164; Rcra waste number U211; UN 1846; Katharin; Seretin; Thawpit; NSC 97063; R 10 (Refrigerant)
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Gas phase ion energetics data

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Data evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LL - Sharon G. Lias and Joel F. Liebman
B - John E. Bartmess

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	11.47 ± 0.01	eV	N/A	N/A	L

Electron affinity determinations

EA (eV)	Method	Reference	Comment
0.80 ± 0.34	IMRB	Staneke, Groothuis, et al., 1995	EA > EA(CH2S-.), and Cl-A(CCl3.) < Cl-A(CCl4); B
2.00 ± 0.20	NBIE	Lacmann, Maneira, et al., 1983	B
2.00 ± 0.20	NBIE	Dispert and Lacmann, 1978	B
2.12 ± 0.10	SI	Gaines, Kay, et al., 1966	The Magnetron method, lacking mass analysis, is not considered reliable.; B

Ionization energy determinations

IE (eV)	Method	Reference	Comment
11.5 ± 0.1	EI	Kime, Driscoll, et al., 1987	LBLHLM
11.3	PE	Von Niessen, Asbrink, et al., 1982	LBLHLM
11.47 ± 0.08	PE	Bassett and Lloyd, 1971	LLK
11.47	PE	Dewar and Worley, 1969	RDSH
11.47 ± 0.01	PI	Watanabe, 1957	RDSH
11.0 ± 1.0	EI	Baker and Tate, 1938	RDSH
11.69	PE	Kimura, Katsumata, et al., 1981	Vertical value; LLK
11.69	PE	Dixon, Murrell, et al., 1971	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C⁺	24. ± 1.	4Cl	PI	Burton, Chan, et al., 1994	LL
C⁺	23.5 ± 0.2	4Cl	EI	Baker and Tate, 1938	RDSH
CCl⁺	17. ± 1.	3Cl	PI	Burton, Chan, et al., 1994	LL
CCl⁺	19.35 ± 0.05	Cl₂+Cl?	EI	Reed and Snedden, 1958	RDSH
CCl⁺	19.4 ± 0.1	Cl₂+Cl?	EI	Blanchard and LeGoff, 1957	RDSH
CCl⁺	17.1 ± 0.2	3Cl	EI	Baker and Tate, 1938	RDSH
CCl₂⁺	14. ± 1.	Cl₂	PI	Burton, Chan, et al., 1994	LL
CCl₂⁺	16. ± 1.	2Cl	PI	Burton, Chan, et al., 1994	LL
CCl₂⁺	15.4	?	EI	Shapiro and Lossing, 1968	RDSH
CCl₂⁺	16.0 ± 0.2	2Cl	EI	Baker and Tate, 1938	RDSH
CCl₃⁺	11. ± 1.	Cl	PI	Burton, Chan, et al., 1994	LL
CCl₃⁺	11.28 ± 0.03	Cl	PI	Werner, Tsai, et al., 1974	LLK
CCl₃⁺	11.37	Cl	EI	Lossing, 1972	LLK
CCl₃⁺	11.65 ± 0.10	Cl	EI	Fox and Curran, 1961	RDSH
CCl₃⁺	11.90 ± 0.07	Cl	EI	Reed and Snedden, 1958	RDSH
CCl₃⁺	11.7 ± 0.1	Cl	EI	Farmer, Henderson, et al., 1956	RDSH
CCl₃⁺	12.2 ± 0.2	Cl	EI	Baker and Tate, 1938	RDSH
Cl⁺	24. ± 1.	C+Cl+Cl₂	PI	Burton, Chan, et al., 1994	LL
Cl⁺	19. ± 1.	CCl+Cl₂	PI	Burton, Chan, et al., 1994	LL
Cl⁺	16.1 ± 0.2	CCl₃	EI	Fox and Curran, 1961	RDSH
Cl⁺	19.1 ± 0.2	?	EI	Baker and Tate, 1938	RDSH
Cl₂⁺	23. ± 1.	C⁺²Cl	PI	Burton, Chan, et al., 1994	LL
Cl₂⁺	16.4 ± 0.5	?	EI	Baker and Tate, 1938	RDSH
Cl₂⁺	23.0 ± 1.0	C⁺²Cl	EI	Baker and Tate, 1938	RDSH

References

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

Staneke, Groothuis, et al., 1995
Staneke, P.O.; Groothuis, G.; Ingemann, S.; Nibbering, N.M.M., Formation, stability and structure of radical anions of chloroform, tetrachloromethane and fluorotrichloromethane in the gas phase, Int. J. Mass Spectrom. Ion Proc., 1995, 142, 1-2, 83, https://doi.org/10.1016/0168-1176(94)04127-S . [all data]

Lacmann, Maneira, et al., 1983
Lacmann, K.; Maneira, M.J.P.; Moutinho, A.M.C.; Weigman, U., Total and Double Differential Cross Sections of Ion- Pair Formations in Collisions of K Atoms with SnCl₄ and CCl₄, J. Chem. Phys., 1983, 78, 1767. [all data]

Dispert and Lacmann, 1978
Dispert, H.; Lacmann, K., Negative ion formation in collisions between potassium and fluoro- and chloromethanes: Electron affinities and bond dissociation energies, Int. J. Mass Spectrom. Ion Phys., 1978, 28, 49. [all data]

Gaines, Kay, et al., 1966
Gaines, A.F.; Kay, J.; Page, F.M., Determination of Electron Affinities. Part 8. - CCl₄, CHCl₃, and CH₂Cl₂, Trans. Farad. Soc., 1966, 62, 874, https://doi.org/10.1039/tf9666200874 . [all data]

Kime, Driscoll, et al., 1987
Kime, Y.J.; Driscoll, D.C.; Dowben, P.A., The stability of the carbon tetrahalide ions, J. Chem. Soc. Faraday Trans. 2, 1987, 83, 403. [all data]

Von Niessen, Asbrink, et al., 1982
Von Niessen, W.; Asbrink, L.; Bieri, G., 30.4 nm He(II) Photoelectron spectra of organic molecules. Part VI. Halogeno-compounds (C,H,X: X = Cl, Br, I), J. Electron Spectrosc. Relat. Phenom., 1982, 26, 173. [all data]

Bassett and Lloyd, 1971
Bassett, P.J.; Lloyd, D.R., Photoelectron spectra of halides. Part I. Tetrafluorides and tetrachlorides of group IVB, J. Chem. Soc., 1971, (A), 641. [all data]

Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation, J. Chem. Phys., 1969, 50, 654. [all data]

Watanabe, 1957
Watanabe, K., Ionization potentials of some molecules, J. Chem. Phys., 1957, 26, 542. [all data]

Baker and Tate, 1938
Baker, R.F.; Tate, J.T., Ionization and dissociation by electron impact in CCl₂F₂ and in CCl₄ vapor, Phys. Rev., 1938, 53, 683. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Dixon, Murrell, et al., 1971
Dixon, R.N.; Murrell, J.N.; Narayan, B., The photoelectron spectra of the halomethanes, Mol. Phys., 1971, 20, 611. [all data]

Burton, Chan, et al., 1994
Burton, G.R.; Chan, W.F.; Cooper, G.; Brion, C.E., Valence- and inner-shell (Cl 2p, 2s; C1s) photoabsorption and photoionization of carbon tetrachloride. Absolute oscillator strengths (5-400 eV) and dipole-induced breakdown pathways, Chem. Phys., 1994, 181, 147. [all data]

Reed and Snedden, 1958
Reed, R.I.; Snedden, W., Studies in electron impact methods. Part 2. The latent heat of sublimation of carbon, J. Chem. Soc. Faraday Trans., 1958, 54, 301. [all data]

Blanchard and LeGoff, 1957
Blanchard, L.P.; LeGoff, P., Mass spectrometric study of the species CS, SO, and CCl₂ produced in primary heterogeneous reactions, Can. J. Chem., 1957, 35, 89. [all data]

Shapiro and Lossing, 1968
Shapiro, J.S.; Lossing, F.P., Free radicals by mass spectrometry. XXXVII. The ionization potential and heat of formation of dichlorocarbene, J. Phys. Chem., 1968, 72, 1552. [all data]

Werner, Tsai, et al., 1974
Werner, A.S.; Tsai, B.P.; Baer, T., Photoionization study of the ionization potentials fragmentation paths of the chlorinated methanes carbon tetrabromide, J. Chem. Phys., 1974, 60, 3650. [all data]

Lossing, 1972
Lossing, F.P., Free radicals by mass spectrometry. XLIV. Ionization potentials bond dissociation energies for chloro-and fluoromethyl radicals, Bull. Soc. Chim. Belg., 1972, 81, 125. [all data]

Fox and Curran, 1961
Fox, R.E.; Curran, R.K., Ionization processes in CCl₄ and SF₆ by electron beams, J. Chem. Phys., 1961, 34, 1595. [all data]

Farmer, Henderson, et al., 1956
Farmer, J.B.; Henderson, I.H.S.; Lossing, F.P.; Marsden, D.G.H., Free radicals by mass spectrometry. IX. Ionization potentials of CF₃ and CCl₃ radicals and bond dissociation energies in some derivatives, J. Chem. Phys., 1956, 24, 348. [all data]

Notes

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Symbols used in this document:

AE Appearance energy

EA Electron affinity

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