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CH3CNO


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

a1 1 CH3 s-stretch 2943 w gas IR Pasinszki and Westwood, 2001
2 CNO a-stretch 2311 vs gas IR Pasinszki and Westwood, 2001
2 CNO a-stretch 2309 Ar IR Mielke, Hawkins, et al., 1989
3 CH3 s-deform. 1394 gas IR Pasinszki and Westwood, 2001
3 CH3 s-deform. 1381 Ar IR Mielke, Hawkins, et al., 1989
4 CNO s-stretch 1348 gas IR Pasinszki and Westwood, 2001
4 CNO s-stretch 1332 Ar IR Mielke, Hawkins, et al., 1989
5 CC stretch 785 gas IR Pasinszki and Westwood, 2001
5 CC stretch 780 Ar IR Mielke, Hawkins, et al., 1989
e 6 CH3 a-stretch 3022 w T gas IR Pasinszki and Westwood, 2001
7 CH3 a-deform. 1453 w gas IR Pasinszki and Westwood, 2001
8 CH3 rock 1034 w T gas IR Pasinszki and Westwood, 2001
9 CNO bend 477 w gas IR Pasinszki and Westwood, 2001

Additional references: Jacox, 1994, page 366; Jacox, 2003, page 338; Bodenseh and Morgenstern, 1970; Blackburn, Brown, et al., 1970; Winnewisser, Pearson, et al., 1982

Notes

wWeak
vsVery strong
TTentative assignment or approximate value

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.

Pasinszki and Westwood, 2001
Pasinszki, T.; Westwood, N.P.C., Gas-Phase Spectroscopy of the Unstable Acetonitrile, J. Phys. Chem. A, 2001, 105, 8, 1244, https://doi.org/10.1021/jp002851z . [all data]

Mielke, Hawkins, et al., 1989
Mielke, Z.; Hawkins, M.; Andrews, L., Matrix reactions of oxygen atoms with methyl cyanide: infrared spectra of hydroxyacetonitrile and acetonitrile N-oxide, J. Phys. Chem., 1989, 93, 2, 558, https://doi.org/10.1021/j100339a015 . [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]

Bodenseh and Morgenstern, 1970
Bodenseh, H.K.; Morgenstern, K., Z. Naturforsch., 1970, 25a, 150. [all data]

Blackburn, Brown, et al., 1970
Blackburn, P.B.; Brown, R.D.; Burden, F.R.; Crofts, J.G.; Gillard, I.R., The microwave spectrum, structure, dipole moment, and 14N nuclear quadrupole coupling constant of acetonitrile-N-oxide, Chem. Phys. Lett., 1970, 7, 1, 102, https://doi.org/10.1016/0009-2614(70)80259-7 . [all data]

Winnewisser, Pearson, et al., 1982
Winnewisser, M.; Pearson, E.F.; Galica, J.; Winnewisser, B.P., Millimeter wave spectrum of acetonitrile oxide, CH3CNO, in the «nu»10 vibrational manifold: The ground state and the state v10 = 1, J. Mol. Spectrosc., 1982, 91, 1, 255, https://doi.org/10.1016/0022-2852(82)90044-3 . [all data]


Notes

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