Chlorine isocyanate

• Formula: CClNO
• Molecular weight: 77.470
• IUPAC Standard InChI: InChI=1S/CClNO/c2-3-1-4 Copy

  
• IUPAC Standard InChIKey: IDKXMGZRWKCTGA-UHFFFAOYSA-N Copy
• CAS Registry Number: 13858-09-8
• Chemical structure:
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• Information on this page:
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
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Gas phase ion energetics 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

Vibrational and/or electronic energy levels

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: Marilyn E. Jacox

State:   X

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

Notes

References

Go To: Top, Gas phase ion energetics 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.

Frost, MacDonald, et al., 1980
Frost, D.C.; MacDonald, C.B.; McDowell, C.A.; Westwood, N.P.C., The HeI photoelectron spectra of the halogen azides, XN₃(X=Cl and Br) and the halogen isocyanates, XNCO(X=Cl, Br and I), Chem. Phys., 1980, 47, 111. [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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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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