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BrCN+


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 = 50200 ± 200 gas Heilbronner, Hornung, et al., 1970
Lake and Thompson, 1970
Eland, Baltzer, et al., 1996
Yencha, Malins, et al., 2004

State:   B


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

To = 18759.78 ± 0.04 gas B-X 445 620 Fulara, Klapstein, et al., 1985
Hanratty, Rosslein, et al., 1988
Rosslein, Hanratty, et al., 1989
Eland, Baltzer, et al., 1996
Yencha, Malins, et al., 2004
To = 18586 ± 14 Ne B-X 418 538 Leutwyler, Maier, et al., 1985


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

Sigma+ 1 CN stretch 1958 ± 2 gas EF LF Fulara, Klapstein, et al., 1985
Hanratty, Rosslein, et al., 1988
Eland, Baltzer, et al., 1996
1 CN stretch 1830 ± 10 Ne AB Leutwyler, Maier, et al., 1985
Pi 2 Bend 395.7 ± 0.2 H gas EF Fulara, Klapstein, et al., 1985
Hanratty, Rosslein, et al., 1988
2 Bend 377 ± 10 Ne AB Leutwyler, Maier, et al., 1985
Sigma+ 3 CBr stretch 473.1 ± 0.2 gas EF Fulara, Klapstein, et al., 1985
Hanratty, Rosslein, et al., 1988
Eland, Baltzer, et al., 1996
3 CBr stretch 478 ± 10 Ne AB Leutwyler, Maier, et al., 1985

State:   A


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

To = 13699 ± 1 gas A-X 708 853 Fulara, Klapstein, et al., 1985
Eland, Baltzer, et al., 1996
Yencha, Malins, et al., 2004


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

Sigma+ 1 CN stretch 1930 ± 2 gas EF Fulara, Klapstein, et al., 1985
Pi 2 Bend 421 ± 2 gas EF Fulara, Klapstein, et al., 1985
Sigma+ 3 CBr stretch 584 ± 2 gas EF Fulara, Klapstein, et al., 1985

State:   X


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

Sigma+ 1 CN stretch 1905.94 gas EF LF Fulara, Klapstein, et al., 1985
Hanratty, Rosslein, et al., 1988
1 CN stretch 1905.94 gas DL PE Salud, Feher, et al., 1993
Eland, Baltzer, et al., 1996
1 CN stretch 1907.7 Ne IR Jacox and Thompson, 2007
Pi 2 Bend 287.2 ± 0.2 H gas EF LF Fulara, Klapstein, et al., 1985
Hanratty, Rosslein, et al., 1988
Sigma+ 3 CBr stretch 649.4 ± 0.5 gas EF LF Fulara, Klapstein, et al., 1985
Hanratty, Rosslein, et al., 1988
Eland, Baltzer, et al., 1996

Additional references: Jacox, 1994, page 80; Jacox, 1998, page 187; Allan and Maier, 1976; Eland, Devoret, et al., 1976; Braitbart, Castellucci, et al., 1985; Castellucci, Dujardin, et al., 1986; Kovac, 1987

Notes

H(1/2)(2nu)
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]

Eland, Baltzer, et al., 1996
Eland, J.H.D.; Baltzer, P.; Lundqvist, M.; Wannberg, B.; Karlsson, L., Vibrational structure of the BrCN+ ion from high resolution photoelectron spectroscopy, Chem. Phys., 1996, 212, 2-3, 457, https://doi.org/10.1016/S0301-0104(96)00197-8 . [all data]

Yencha, Malins, et al., 2004
Yencha, A.J.; Malins, A.E.R.; King, G.C., Threshold photoelectron spectroscopy of cyanogen bromide, Chem. Phys. Lett., 2004, 392, 1-3, 202, https://doi.org/10.1016/j.cplett.2004.05.069 . [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]

Hanratty, Rosslein, et al., 1988
Hanratty, M.A.; Rosslein, M.; Celii, F.G.; Wyttenbach, T.; Maier, J.P., The, Mol. Phys., 1988, 64, 5, 865, https://doi.org/10.1080/00268978800100593 . [all data]

Rosslein, Hanratty, et al., 1989
Rosslein, M.; Hanratty, M.A.; Maier, J.P., The, Mol. Phys., 1989, 68, 4, 823, https://doi.org/10.1080/00268978900102571 . [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]

Salud, Feher, et al., 1993
Salud, C.; Feher, M.; Amano, T., Infrared Diode Laser Detection of the «nu»1 Fundamental Band of BrCN+, J. Mol. Spectrosc., 1993, 162, 1, 172, https://doi.org/10.1006/jmsp.1993.1277 . [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, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [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]

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]

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]

Castellucci, Dujardin, et al., 1986
Castellucci, E.; Dujardin, G.; Leach, S., J. Chem. Soc., 1986, Faraday Trans. 2 82, 1271. [all data]

Kovac, 1987
Kovac, B., High-resolution photoelectron spectra of cyanogen bromide and cyanogen iodide: vibronic mixing, J. Phys. Chem., 1987, 91, 16, 4231, https://doi.org/10.1021/j100300a005 . [all data]


Notes

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