Chloromethylidyne
- Formula: CCl
- Molecular weight: 47.464
- IUPAC Standard InChI: InChI=1S/CCl/c1-2
- IUPAC Standard InChIKey: BBFYMZCRBPASGM-UHFFFAOYSA-N
- CAS Registry Number: 3889-76-7
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, Constants of diatomic molecules, 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to CCl+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.9 ± 0.2 | PE | Hepburn, Trevor, et al., 1982 | LBLHLM |
| 12.9 ± 0.10 | EI | Reed and Snedden, 1958 | RDSH |
Constants of diatomic molecules
Go To: Top, Gas phase ion energetics 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 by: Klaus P. Huber and Gerhard H. Herzberg
Data collected through July, 1976
| Symbol | Meaning |
|---|---|
| State | electronic state and / or symmetry symbol |
| Te | minimum electronic energy (cm-1) |
| ωe | vibrational constant – first term (cm-1) |
| ωexe | vibrational constant – second term (cm-1) |
| ωeye | vibrational constant – third term (cm-1) |
| Be | rotational constant in equilibrium position (cm-1) |
| αe | rotational constant – first term (cm-1) |
| γe | rotation-vibration interaction constant (cm-1) |
| De | centrifugal distortion constant (cm-1) |
| βe | rotational constant – first term, centrifugal force (cm-1) |
| re | internuclear distance (Å) |
| Trans. | observed transition(s) corresponding to electronic state |
| ν00 | position of 0-0 band (units noted in table) |
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| A 2Δr | 1 | [848.1] H | [0.70620] | [1.84E-4] | [1.6346] | A ↔ X V | 35870.28 2 Z | |||||
| ↳Gordon and King, 1961; Simons and Yarwood, 1961; missing citation; Ovcharenko, Kuzyakov, et al., 1965 | ||||||||||||
| A ↔ X V | 36003.92 2 Z | |||||||||||
| ↳Gordon and King, 1961; Simons and Yarwood, 1961; missing citation; Ovcharenko, Kuzyakov, et al., 1965 | ||||||||||||
| X 2Π3/2 | 3 | [865.48] Z | 0.70099 | 0.00678 | 1.89E-4 4 | 1.645 5 | ||||||
| X 2Π1/2 | 0 | [866.72] Z | 6.2 H | 0.6936 6 | 0.00672 | 1.9E-4 7 | 1.645 | |||||
Notes
| 1 | A0= +7.04; see Merer, Travis, et al., 1966. |
| 2 | J'=3/2 (average of F1 and {F2} relative to {J"=0}. |
| 3 | A0= +134.92. |
| 4 | D1= 2.30E-6. |
| 5 | Theoretical work on low-lying valence states; see Bialski and Grein, 1976. |
| 6 | Λ-type doubling, Δv = 0.0137(J+1/2). |
| 7 | D1= 2.0E-6. |
| 8 | Study of flame reactions suggests D00 = 3.34 eV Miller and Palmer, 1964. |
References
Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hepburn, Trevor, et al., 1982
Hepburn, J.W.; Trevor, D.J.; Pollard, J.E.; Shirley, D.A.; Lee, Y.T.,
Multiphoton ionization photoelectron spectroscopy of CCl2F2 and CCl3F,
J. Chem. Phys., 1982, 76, 4287. [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]
Gordon and King, 1961
Gordon, R.D.; King, G.W.,
The emission spectrum of the CCl radical,
Can. J. Phys., 1961, 39, 252. [all data]
Simons and Yarwood, 1961
Simons, J.P.; Yarwood, A.J.,
Decomposition of hot radicals. Part 1. The production of CCl and CBr from halogen-substituted methyl radicals,
Trans. Faraday Soc., 1961, 57, 2167. [all data]
Ovcharenko, Kuzyakov, et al., 1965
Ovcharenko, I.E.; Kuzyakov, Y.Y.; Tatevskii, V.M.,
Concerning the vibrational constants and dissociation energy of the CCl molecule,
Opt. Spectrosc. Engl. Transl., 1965, 19, 294-295, In original 528-530. [all data]
Merer, Travis, et al., 1966
Merer, A.J.; Travis, D.N.; Watson, J.K.G.,
Spin-orbit coupling in the A2Δ state of CCl,
Can. J. Phys., 1966, 44, 447. [all data]
Bialski and Grein, 1976
Bialski, M.; Grein, F.,
Theoretical studies on low-lying valence states of NS, SiF, and CCl,
J. Mol. Spectrosc., 1976, 61, 321. [all data]
Miller and Palmer, 1964
Miller, W.J.; Palmer, H.B.,
Chemiluminescence and radical reactions in diffusion flames of alkali metals with organic halides,
J. Chem. Phys., 1964, 40, 3701. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, References
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