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Cyanic acid


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 OH stretch 3610 Ne IR Bondybey, English, et al., 1982
1 OH stretch 3569.6 s Ar IR Jacox and Milligan, 1964
Teles, Maier, et al., 1989
1 OH stretch 3536 Kr IR Pettersson, Khriachtchev, et al., 1999
1 OH stretch 3506 s N2 IR Jacox and Milligan, 1964
2 CN stretch 2302 gas IR Su, Kong, et al., 2000
2 CN stretch 2294 Ne IR Bondybey, English, et al., 1982
2 CN stretch 2286.3 vs Ar IR Jacox and Milligan, 1964
Teles, Maier, et al., 1989
Crowley and Sodeau, 1989
2 CN stretch 2291.1 Kr IR Pettersson, Khriachtchev, et al., 1999
2 CN stretch 2294 s N2 IR Jacox and Milligan, 1964
3 OH deform. 1227 Ne IR Bondybey, English, et al., 1982
3 OH deform. 1227.9 s Ar IR Jacox and Milligan, 1964
Teles, Maier, et al., 1989
Crowley and Sodeau, 1989
3 OH deform. 1220.6 Kr IR Pettersson, Khriachtchev, et al., 1999
3 OH deform. 1241 m N2 IR Jacox and Milligan, 1964
4 C-O stretch 1082 Ne IR Bondybey, English, et al., 1982
4 C-O stretch 1081.3 m Ar IR Jacox and Milligan, 1964
Teles, Maier, et al., 1989
Crowley and Sodeau, 1989
4 C-O stretch 1088.6 Kr IR Pettersson, Khriachtchev, et al., 1999
4 C-O stretch 1098 s N2 IR Jacox and Milligan, 1964
5 OCN deform. 460 w m N2 IR Jacox and Milligan, 1964

Additional references: Jacox, 1994, page 163; Jacox, 2003, page 191; McLean, Loew, et al., 1977; Poppinger, Radom, et al., 1977; DeFrees, Loew, et al., 1982; Brunken, Gottlieb, et al., 2009

Notes

wWeak
mMedium
sStrong
vsVery strong

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.

Bondybey, English, et al., 1982
Bondybey, V.E.; English, J.H.; Mathews, C.W.; Contolini, R.J., Infrared spectra and isomerization of CHNO species in rare gas matrices, J. Mol. Spectrosc., 1982, 92, 2, 431, https://doi.org/10.1016/0022-2852(82)90113-8 . [all data]

Jacox and Milligan, 1964
Jacox, M.E.; Milligan, D.E., Low-Temperature Infrared Study of Intermediates in the Photolysis of HNCO and DNCO, J. Chem. Phys., 1964, 40, 9, 2457, https://doi.org/10.1063/1.1725546 . [all data]

Teles, Maier, et al., 1989
Teles, J.H.; Maier, G.; Hess, B.A., Jr.; Schaad, L.J.; Winnewisser, M.; Winnewisser, B.P., The CHNO Isomers, Chem. Ber., 1989, 122, 4, 753, https://doi.org/10.1002/cber.19891220425 . [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]

Su, Kong, et al., 2000
Su, H.; Kong, F.; Chen, B.; Huang, M.-B.; Liu, Y., Reaction dynamics of electronically state-specific CH[sub 2] with NO, J. Chem. Phys., 2000, 113, 5, 1885, https://doi.org/10.1063/1.481992 . [all data]

Crowley and Sodeau, 1989
Crowley, J.N.; Sodeau, J.R., Reaction between hydrocyanic acid and O(1D2) or O(3P) oxygen atoms in low-temperature matrixes, J. Phys. Chem., 1989, 93, 8, 3100, https://doi.org/10.1021/j100345a044 . [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]

McLean, Loew, et al., 1977
McLean, A.D.; Loew, G.H.; Berkowitz, D.S., Structures and spectra of the isomers HNCO, HOCN, HONC, and HCNO from ab initio quantum mechanical calculations, J. Mol. Spectrosc., 1977, 62, 2, 184, https://doi.org/10.1016/0022-2852(77)90258-2 . [all data]

Poppinger, Radom, et al., 1977
Poppinger, D.; Radom, L.; Pople, J.A., A theoretical study of the CHNO isomers, J. Am. Chem. Soc., 1977, 99, 24, 7806, https://doi.org/10.1021/ja00466a010 . [all data]

DeFrees, Loew, et al., 1982
DeFrees, D.J.; Loew, G.H.; McLean, A.D., The rotational spectra of HOCO/plus/, HOCN, HN3, and HNCO from quantum mechanical calculations, Astrophys. J., 1982, 254, 405, https://doi.org/10.1086/159745 . [all data]

Brunken, Gottlieb, et al., 2009
Brunken, S.; Gottlieb, C.A.; McCarthy, M.C.; Thaddeus, P., LABORATORY DETECTION OF HOCN AND TENTATIVE IDENTIFICATION IN Sgr B2, Astrophys. J., 2009, 697, 1, 880, https://doi.org/10.1088/0004-637X/697/1/880 . [all data]


Notes

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