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ClCN+


Vibrational and/or electronic energy levels

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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: Marilyn E. Jacox

State:   C


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 54000 ± 300 gas Heilbronner, Hornung, et al., 1970
Lake and Thompson, 1970

State:   B


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 22515.54 gas B-X 365 569 Fulara, Klapstein, et al., 1985
Celii, Fulara, et al., 1986
Celii, Rosslein, et al., 1987
Rosslein and Maier, 1989
Holland, Shaw, et al., 2000
To = 22598 ± 5 Ne B-X 380 442 Leutwyler, Maier, et al., 1985


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

Sigma+ 1 CN stretch 2128.5 ± 0.7 gas LF Celii, Fulara, et al., 1986
Pi 2 Bend 303.1 ± 0.7 gas LF Celii, Fulara, et al., 1986
Sigma+ 3 CCl stretch 531.90 gas LF PE Celii, Fulara, et al., 1986
Celii, Rosslein, et al., 1987
Holland, Shaw, et al., 2000
3 CCl stretch 539 ± 4 Ne AB Leutwyler, Maier, et al., 1985

State:   A


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 11690 ± 1 gas A-X 843 881 Allan and Maier, 1976
Fulara, Klapstein, et al., 1985
Holland, Shaw, et al., 2000


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

Sigma+ 3 CCl stretch 774 ± 2 gas EF PE Fulara, Klapstein, et al., 1985
Holland, Shaw, et al., 2000

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

Sigma+ 1 CN stretch 1915 ± 2 gas EF PE Fulara, Klapstein, et al., 1985
Greiman, McIlroy, et al., 1986
Celii, Fulara, et al., 1986
Holland, Shaw, et al., 2000
1 CN stretch 1919.7 Ne IR Jacox and Thompson, 2007
Pi 2 Bend 376 T gas LF Celii, Fulara, et al., 1986
Sigma+ 3 CCl stretch 827 ± 2 gas EF PE Fulara, Klapstein, et al., 1985
Greiman, McIlroy, et al., 1986
Celii, Fulara, et al., 1986
Holland, Shaw, et al., 2000
3 CCl stretch 832.0 Ne IR Jacox and Thompson, 2007

Additional references: Jacox, 1994, page 79; Jacox, 2003, page 126; Eland, Devoret, et al., 1976; Maier, Ochsner, et al., 1983; Braitbart, Castellucci, et al., 1985

Notes

TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, Vibrational and/or electronic energy levels, Notes

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

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]

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]

Fulara, Klapstein, et al., 1985
Fulara, J.; Klapstein, D.; Kuhn, R.; Maier, J.P., Emission spectra of supersonically cooled halocyanide cations, XCN+ (X = Cl, Br, I): ~A2.SIGMA.+ .fwdarw. ~B2.PI. and ~B2.PI. .fwdarw. ~X2.PI. band systems, J. Phys. Chem., 1985, 89, 20, 4213, https://doi.org/10.1021/j100266a014 . [all data]

Celii, Fulara, et al., 1986
Celii, F.G.; Fulara, J.; Maier, J.P.; Rosslein, M., The B 2«PI» <-- X 2«PI» laser excitation spectrum of ClCN+ in the gas phase, Chem. Phys. Lett., 1986, 131, 4-5, 325, https://doi.org/10.1016/0009-2614(86)87159-7 . [all data]

Celii, Rosslein, et al., 1987
Celii, F.G.; Rosslein, M.; Hanratty, M.A.; Maier, J.P., Rotational analysis of the, Mol. Phys., 1987, 62, 6, 1435, https://doi.org/10.1080/00268978700103091 . [all data]

Rosslein and Maier, 1989
Rosslein, M.; Maier, J.P., Geometric structure of chlorocyanide cation, J. Phys. Chem., 1989, 93, 21, 7342, https://doi.org/10.1021/j100358a017 . [all data]

Holland, Shaw, et al., 2000
Holland, D.M.P.; Shaw, D.A.; Karlsson, L.; Shpinkova, L.G.; Cooper, L.; Trofimov, A.B.; Schirmer, J., An experimental and theoretical investigation of the valence shell photoelectron spectrum of cyanogen chloride, Mol. Phys., 2000, 98, 23, 1939, https://doi.org/10.1080/00268970009483397 . [all data]

Leutwyler, Maier, et al., 1985
Leutwyler, S.; Maier, J.P.; Spittel, U., The electronic absorption spectra of ClCN+, BrCN+, and ICN+ in neon matrices, J. Chem. Phys., 1985, 83, 2, 506, https://doi.org/10.1063/1.449513 . [all data]

Allan and Maier, 1976
Allan, M.; Maier, J.P., The emission spectra of CICN+, BrCN+, ICN+ radical cations: 2«PI»-->2«PI» and 2«SIGMA»+ --> 2«PI» band systems, Chem. Phys. Lett., 1976, 41, 2, 231, https://doi.org/10.1016/0009-2614(76)80799-3 . [all data]

Greiman, McIlroy, et al., 1986
Greiman, F.J.; McIlroy, A.; Perkins, J., J. Chem. Phys, 1986, 84, 2481. [all data]

Jacox and Thompson, 2007
Jacox, M.E.; Thompson, W.E., Infrared spectra of ClCN[sup +], ClNC[sup +], and BrCN[sup +] trapped in solid neon, J. Chem. Phys., 2007, 126, 24, 244311, https://doi.org/10.1063/1.2746868 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Eland, Devoret, et al., 1976
Eland, J.H.D.; Devoret, M.; Leach, S., Quantum yields and lifetimes of molecular ion fluorescence, Chem. Phys. Lett., 1976, 43, 1, 97, https://doi.org/10.1016/0009-2614(76)80765-8 . [all data]

Maier, Ochsner, et al., 1983
Maier, J.P.; Ochsner, M.; Thommen, F., Intramolecular decay of some open-shell polyatomic cations, Faraday Discuss. Chem. Soc., 1983, 75, 77, https://doi.org/10.1039/dc9837500077 . [all data]

Braitbart, Castellucci, et al., 1985
Braitbart, O.; Castellucci, E.; Dujardin, G.; Leach, S., Nonradiative transitions and unimolecular dissociation of excited electronic states of cyanogen chloride(1+) (ClCN+), cyanogen bromide(1+) (BrCN+), and cyanogen iodide(1+) (ICN+), J. Phys. Chem., 1985, 89, 15, 3252, https://doi.org/10.1021/j100261a018 . [all data]


Notes

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