Chloromethylidyne

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Constants of diatomic molecules

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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 by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through July, 1976

Symbols used in the table of constants
SymbolMeaning
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)
Diatomic constants for 12C35Cl
StateTeωeωexeωeyeBeαeγeDeβereTrans.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

1A0= +7.04; see Merer, Travis, et al., 1966.
2J'=3/2 (average of F1 and {F2} relative to {J"=0}.
3A0= +134.92.
4D1= 2.30E-6.
5Theoretical work on low-lying valence states; see Bialski and Grein, 1976.
6Λ-type doubling, Δv = 0.0137(J+1/2).
7D1= 2.0E-6.
8Study of flame reactions suggests D00 = 3.34 eV Miller and Palmer, 1964.

References

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

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

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