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Chlorine isocyanate


Gas phase thermochemistry data

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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas>221.kJ/molEqkBell and Coombe, 1985or =52.9 kcal/mol

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:   X


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

a' 1 NCO a-stretch 2212.2 vs gas IR Nachbaur and Gottardi, 1966
Eysel and Nachbaur, 1971
DeVore, 1987
2 NCO s-stretch 1306.6 w gas IR Nachbaur and Gottardi, 1966
Eysel and Nachbaur, 1971
DeVore, 1987
3 707.7 w m gas IR Nachbaur and Gottardi, 1966
Eysel and Nachbaur, 1971
DeVore, 1987
4 607.7 w gas IR DeVore, 1987
a 6 NCO bend 559.0 w m gas IR Nachbaur and Gottardi, 1966
Eysel and Nachbaur, 1971
DeVore, 1987

Additional references: Jacox, 1994, page 198; Hocking and Gerry, 1972; Hocking, Williams, et al., 1975

Notes

wWeak
mMedium
vsVery strong

References

Go To: Top, Gas phase thermochemistry data, 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.

Bell and Coombe, 1985
Bell, D.D.; Coombe, R.D., Photodissociation of chlorine isocyanate, J. Chem. Phys., 1985, 82, 1317-1322. [all data]

Nachbaur and Gottardi, 1966
Nachbaur, E.; Gottardi, W., Darstellung und Eigenschaften von Chlorisocyanat, Montash. Chem., 1966, 97, 1, 115, https://doi.org/10.1007/BF00905495 . [all data]

Eysel and Nachbaur, 1971
Eysel, H.H.; Nachbaur, E., Schwingungsspektrum und Kraftkonstanten von Chlorisocyanat CINCO, Z. Anorg. Allg. Chem., 1971, 381, 1, 71, https://doi.org/10.1002/zaac.19713810108 . [all data]

DeVore, 1987
DeVore, T.C., The infrared spectra of the halogen isocyanate and thiocyanate vapor molecules, J. Mol. Struct., 1987, 162, 3-4, 287, https://doi.org/10.1016/0022-2860(87)87060-6 . [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]

Hocking and Gerry, 1972
Hocking, W.H.; Gerry, M.C.L., The microwave spectrum and structure of chlorine isocyanate, J. Mol. Spectrosc., 1972, 42, 3, 547, https://doi.org/10.1016/0022-2852(72)90229-9 . [all data]

Hocking, Williams, et al., 1975
Hocking, W.H.; Williams, M.L.; Gerry, M.C.L., Further study of the microwave spectrum of chlorine lsocyanate: The substitution structure and nuclear quadrupole coupling, J. Mol. Spectrosc., 1975, 58, 2, 250, https://doi.org/10.1016/0022-2852(75)90111-3 . [all data]


Notes

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