Isocyanato radical

• Formula: CNO
• Molecular weight: 42.0168
• IUPAC Standard InChI: InChI=1S/CNO/c2-1-3 Copy

  
• IUPAC Standard InChIKey: HKKDKUMUWRTAIA-UHFFFAOYSA-N Copy
• CAS Registry Number: 22400-26-6
• Chemical structure:
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• Information on this page:
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
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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:   B

State:   A

State:   X

Additional references: Jacox, 1994, page 76; Jacox, 1998, page 184; Jacox, 2003, page 122; Carrington, Fabris, et al., 1968; Saito and Amano, 1970; Amano and Hirota, 1972; Reisler, Mangir, et al., 1980; Hancock and Ketley, 1982; Charlton, Okamura, et al., 1982; Sullivan, Smith, et al., 1983; Kawaguchi, Saito, et al., 1985; Misra, Mathews, et al., 1988; Davies and Davis, 1990; Patel-Misra, Sauder, et al., 1991; Hoops, Bise, et al., 2001

Notes

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.

Dixon, 1960
Dixon, R.N., A, Can. J. Phys., 1960, 38, 1, 10, https://doi.org/10.1139/p60-002 . [all data]

Dixon, Trenouth, et al., 1987
Dixon, R.N.; Trenouth, M.J.; Western, C.M., An optical-optical double resonance study of the, Mol. Phys., 1987, 60, 4, 779, https://doi.org/10.1080/00268978700100541 . [all data]

Cyr, Continetti, et al., 1992
Cyr, D.R.; Continetti, R.E.; Metz, R.B.; Osborn, D.L.; Neumark, D.M., Fast beam studies of NCO free radical photodissociation, J. Chem. Phys., 1992, 97, 7, 4937, https://doi.org/10.1063/1.463989 . [all data]

Wright and Dagdigian, 1996
Wright, S.A.; Dagdigian, P.J., Radiative and nonradiative decay of electronically excited NCO, J. Chem. Phys., 1996, 104, 21, 8279, https://doi.org/10.1063/1.471580 . [all data]

Yao, Fernandez, et al., 1997
Yao, J.; Fernandez, J.A.; Bernstein, E.R., On the A and B electronic states of NCO and its clusters with nonpolar solvents, J. Chem. Phys., 1997, 107, 21, 8813, https://doi.org/10.1063/1.475173 . [all data]

Elliott, Fitzpatrick, et al., 2008
Elliott, N.L.; Fitzpatrick, J.A.J.; Western, C.M., Sub-Doppler spectroscopy of the A [sup 2]Σ[sup +]-X [sup 2]Π and B [sup 2]Π-X [sup 2]Π transitions of NCO, J. Chem. Phys., 2008, 129, 16, 164301, https://doi.org/10.1063/1.2987305 . [all data]

Milligan and Jacox, 1967
Milligan, D.E.; Jacox, M.E., Matrix-Isolation Study of the Infrared and Ultraviolet Spectra of the Free Radical NCO, J. Chem. Phys., 1967, 47, 12, 5157, https://doi.org/10.1063/1.1701773 . [all data]

Dixon, 1960, 2
Dixon, R.N., The Absorption Spectrum of the Free NCO Radical, Phil. Trans. Roy. Soc. (London) A252, 1960, 252, 1007, 165, https://doi.org/10.1098/rsta.1960.0003 . [all data]

Patel-Misra, Sauder, et al., 1990
Patel-Misra, D.; Sauder, D.G.; Dagdigian, P.J., Observation of highly excited bending levels in NCO(X 2Π), J. Chem. Phys., 1990, 93, 8, 5448, https://doi.org/10.1063/1.459641 . [all data]

Wu, Northrup, et al., 1992
Wu, M.; Northrup, F.J.; Sears, T.J., Study of Renner--Teller, spin--orbit, and Fermi-resonance interactions in X 2Π (v1v20) levels of NCO by stimulated emission pumping spectroscopy, J. Chem. Phys., 1992, 97, 7, 4583, https://doi.org/10.1063/1.463861 . [all data]

Hemmerling and Vervloet, 1993
Hemmerling, B.; Vervloet, M., Analysis of the electronic emission Ã, Mol. Phys., 1993, 78, 6, 1423, https://doi.org/10.1080/00268979300100941 . [all data]

Bondybey and English, 1977
Bondybey, V.E.; English, J.H., Fermi resonance and vibrational relaxation in the A 2Σ state of NCO in solid argon, J. Chem. Phys., 1977, 67, 6, 2868, https://doi.org/10.1063/1.435154 . [all data]

Wong, Anderson, et al., 1984
Wong, K.N.; Anderson, W.R.; Kotlar, A.J.; Vanderhoff, J.A., Investigation of several low-lying levels of X 2Π NCO using argon laser excited fluorescence, J. Chem. Phys., 1984, 81, 7, 2970, https://doi.org/10.1063/1.448047 . [all data]

Copeland, 1984
Copeland, R.A., and D. R. Crosley, 1984, Can. J. Phys. 62, 1488. [all data]

Werner, Seebass, et al., 1985
Werner, J.; Seebass, W.; Koch, M.; Curl, R.F.; Urban, W.; Brown, J.M., An observation of the, Mol. Phys., 1985, 56, 2, 453, https://doi.org/10.1080/00268978500102441 . [all data]

Woodward, Fletcher, et al., 1987
Woodward, D.R.; Fletcher, D.A.; Brown, J.M., Dispersed fluorescence studies of the NCO radical, Mol. Phys., 1987, 62, 2, 517, https://doi.org/10.1080/00268978700102381 . [all data]

Wu and Sears, 1994
Wu, M.; Sears, T.J., Stimulated emission pumping spectroscopy of, Mol. Phys., 1994, 82, 3, 503, https://doi.org/10.1080/00268979400100374 . [all data]

Pettersson, Khriachtchev, et al., 1999
Pettersson, M.; Khriachtchev, L.; Jolkkonen, S.; Rasanen, M., Photochemistry of HNCO in Solid Xe: Channels of UV Photolysis and Creation of H, J. Phys. Chem. A, 1999, 103, 45, 9154, https://doi.org/10.1021/jp992224d . [all data]

Bolman, Brown, et al., 1975
Bolman, P.S.H.; Brown, J.M.; Carrington, A.; Kopp, I.; Ramsay, D.A., A Re-Investigation of the Formula Formula-Formula Formula Band System of NCO, Proc. Roy. Soc. (London) A343, 1975, 343, 1632, 17, https://doi.org/10.1098/rspa.1975.0050 . [all data]

Gillett, Cooksy, et al., 2006
Gillett, D.A.; Cooksy, A.L.; Brown, J.M., Infrared laser magnetic resonance spectroscopy of the ν3 fundamental and associated hot bands of the NCO free radical, J. Mol. Spectrosc., 2006, 239, 2, 190, https://doi.org/10.1016/j.jms.2006.07.005 . [all data]

Barnes, Brown, et al., 1982
Barnes, C.E.; Brown, J.M.; Fackerell, A.D.; Sears, T.J., The laser magnetic resonance spectrum of the NCO radical at 5.2 μm, J. Mol. Spectrosc., 1982, 92, 2, 485, https://doi.org/10.1016/0022-2852(82)90117-5 . [all data]

Bruggemann, Petri, et al., 1989
Bruggemann, R.; Petri, M.; Fischer, H.; Mauer, D.; Reinert, D.; Urban, W., Computer controlled diode laser spectrometer with a helium evaporation cryostat and spectroscopy of thev 3 vibration of NCO, Appl. Phys. B, 1989, 48, 2, 105, https://doi.org/10.1007/BF00692134 . [all data]

Northrup, Wu, et al., 1992
Northrup, F.J.; Wu, M.; Sears, T.J., Measurement of (00v3) levels in X 2Π NCO by stimulated emission pumping spectroscopy, J. Chem. Phys., 1992, 96, 10, 7218, https://doi.org/10.1063/1.462426 . [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]

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]

Carrington, Fabris, et al., 1968
Carrington, A.; Fabris, A.R.; Lucas, N.J.D., Electron Resonance Spectrum of NCO in the Gas Phase, J. Chem. Phys., 1968, 49, 12, 5545, https://doi.org/10.1063/1.1670088 . [all data]

Saito and Amano, 1970
Saito, S.; Amano, T., Microwave spectrum of the NCO radical, J. Mol. Spectrosc., 1970, 34, 3, 383, https://doi.org/10.1016/0022-2852(70)90021-4 . [all data]

Amano and Hirota, 1972
Amano, T.; Hirota, E., Hyperfine Interactions of the Free NCO Radical in the Δ Vibronic State (v2 = 1), J. Chem. Phys., 1972, 57, 12, 5608, https://doi.org/10.1063/1.1678265 . [all data]

Reisler, Mangir, et al., 1980
Reisler, H.; Mangir, M.; Wittig, C., The kinetics of free radicals generated by IR laser photolysis. II. Reactions of C2(X 1Σ+g), C2(a 3Πu), C3(X 1Σ+g) and CN(X 2Σ+) with O2, Chem. Phys., 1980, 47, 1, 49, https://doi.org/10.1016/0301-0104(80)80019-X . [all data]

Hancock and Ketley, 1982
Hancock, G.; Ketley, G.W., J. Chem. Soc., 1982, Faraday Trans. 2 78, 1283. [all data]

Charlton, Okamura, et al., 1982
Charlton, T.R.; Okamura, T.; Thrush, B.A., Laser-induced fluorescence of NCO in the gas phase, Chem. Phys. Lett., 1982, 89, 2, 98, https://doi.org/10.1016/0009-2614(82)83381-2 . [all data]

Sullivan, Smith, et al., 1983
Sullivan, B.J.; Smith, G.P.; Crosley, D.R., Lifetimes in the B2Πi state and the heat of formation of NCO, Chem. Phys. Lett., 1983, 96, 3, 307, https://doi.org/10.1016/0009-2614(83)80678-2 . [all data]

Kawaguchi, Saito, et al., 1985
Kawaguchi, K.; Saito, S.; Hirota, E., Microwave spectroscopy of the NCO radical in the ν, Mol. Phys., 1985, 55, 2, 341, https://doi.org/10.1080/00268978500101371 . [all data]

Misra, Mathews, et al., 1988
Misra, P.; Mathews, C.W.; Ramsay, D.A., Analysis of the band of 14NCO and 15NCO, J. Mol. Spectrosc., 1988, 130, 2, 419, https://doi.org/10.1016/0022-2852(88)90088-4 . [all data]

Davies and Davis, 1990
Davies, P.B.; Davis, I.H., Far infrared L.M.R. of, Mol. Phys., 1990, 69, 1, 175, https://doi.org/10.1080/00268979000100121 . [all data]

Patel-Misra, Sauder, et al., 1991
Patel-Misra, D.; Sauder, D.G.; Dagdigian, P.J.; Crosley, D.R., Comment on: Observation of highly excited bending levels in NCO(X 2 Π), J. Chem. Phys., 1991, 95, 3, 2222, https://doi.org/10.1063/1.460976 . [all data]

Hoops, Bise, et al., 2001
Hoops, A.A.; Bise, R.T.; Gascooke, J.R.; Neumark, D.M., State-resolved translation energy distributions for NCO photodissociation, J. Chem. Phys., 2001, 114, 20, 9020, https://doi.org/10.1063/1.1369132 . [all data]

Notes

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

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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