Cyanic acid

Formula: CHNO
Molecular weight: 43.0247
CAS Registry Number: 420-05-3
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Vibrational and/or electronic energy levels

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

Weak

Medium

Strong

Very strong

References

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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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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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