Methane, nitroso-

Formula: CH₃NO
Molecular weight: 45.0406
IUPAC Standard InChI: InChI=1S/CH3NO/c1-2-3/h1H3
IUPAC Standard InChIKey: IMHRONYAKYWGCC-UHFFFAOYSA-N
CAS Registry Number: 865-40-7
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Nitrosomethane; CH3NO
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Other data available:
- Reaction thermochemistry data
- Mass spectrum (electron ionization)
Data at other public NIST sites:
- Gas Phase Kinetics Database
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Gas phase ion energetics data

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Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to CH₃NO⁺ (ion structure unspecified)

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.3	PE	Frost, Lau, et al., 1982	LBLHLM
9.3	PE	Chong, Frost, et al., 1982	LBLHLM
10.8 ± 0.3	EI	Thomassy and Lampe, 1970	RDSH
9.68 ± 0.05	PE	Frost, Lau, et al., 1982	Vertical value; LBLHLM
9.68 ± 0.05	PE	Chong, Frost, et al., 1982	Vertical value; LBLHLM
9.76 ± 0.05	PE	Ernsting, Pfab, et al., 1980	Vertical value; LLK
9.8	PE	Rao, 1975	Vertical value; LLK
8.7 ± 0.1	PE	Egdell, Green, et al., 1975	Vertical value; LLK
9.8	PE	Bergmann and Bock, 1975	Vertical value; LLK

Vibrational and/or electronic energy levels

Go To: Top, Gas phase ion energetics data, References, Notes

Data compiled by: Marilyn E. Jacox

State: X

Vib. sym.	Approximate type of mode	cm^-1		Med.	Method	References


a'	CH₃ a-stretch	2991	w m	Ar	IR	Barnes, Hallam, et al., 1976
	CH₃ s-stretch	2901	w m	Ar	IR	Barnes, Hallam, et al., 1976
	N=O stretch	1564		gas	IR	Luttke, 1957
	N=O stretch	1549	s	Ar	IR	Barnes, Hallam, et al., 1976
	CH₃ s-deform.	1348	s	Ar	IR	Barnes, Hallam, et al., 1976
	CH₃ rock	967	w	Ar	IR	Barnes, Hallam, et al., 1976
	C-N stretch	842		gas	IR	Luttke, 1957
	C-N stretch	870	m	Ar	IR	Barnes, Hallam, et al., 1976
	CNO bend	574	w m	Ar	IR	Barnes, Hallam, et al., 1976
a	CH₃ a-stretch	2955	w	Ar	IR	Barnes, Hallam, et al., 1976
	CH₃ a-deform.	1410	s	Ar	IR	Barnes, Hallam, et al., 1976
	CH₃ rock	916	w m	Ar	IR	Barnes, Hallam, et al., 1976

Additional references: Jacox, 1994, page 320; Turner and Cox, 1978

Notes

Weak

Medium

Strong

References

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

Frost, Lau, et al., 1982
Frost, D.C.; Lau, W.M.; McDowell, C.A.; Westwood, N.P.C., A study by He I photoelectron spectroscopy of monomeric nitrosomethane, the cis and trans dimers, and formaldoxime, J. Phys. Chem., 1982, 86, 3577. [all data]

Chong, Frost, et al., 1982
Chong, D.P.; Frost, D.C.; Lau, W.M.; McDowell, C.A., Shake-up satellites in HeI photoelectron spectra: N₂O₄ and CH₃NO, Chem. Phys. Lett., 1982, 90, 332. [all data]

Thomassy and Lampe, 1970
Thomassy, F.A.; Lampe, F.W., A mass spectrometric study of the dimerization of nitrosomethane, J. Phys. Chem., 1970, 74, 1188. [all data]

Ernsting, Pfab, et al., 1980
Ernsting, N.P.; Pfab, J.; Green, J.C.; Romelt, J., Photoelectron spectra of nitrosomethane, t-nitrosobutane and some perhalogenonitrosomethanes, J. Chem. Soc. Faraday Trans. 2, 1980, 76, 844. [all data]

Rao, 1975
Rao, C.N.R., Lone-pair ionization bands of chromophores in the photoelectron spectra of organic molecules, Indian J. Chem., 1975, 13, 950. [all data]

Egdell, Green, et al., 1975
Egdell, R.; Green, J.C.; Rao, C.N.R.; Gowenlock, B.G.; Pfab, J., He(I) photoelectron studies of C-nitroso compounds, J. Chem. Soc. Faraday Trans. 2, 1975, 988. [all data]

Bergmann and Bock, 1975
Bergmann, H.; Bock, H., Photoelectron spectra molecular properties, XLVI nitroso compounds - electron-rich molecules, Z. Naturforsch. B:, 1975, 30, 629. [all data]

Barnes, Hallam, et al., 1976
Barnes, A.J.; Hallam, H.E.; Waring, S.; Armstrong, J.R., J. Chem. Soc., 1976, Faraday Trans. 2 72, 1. [all data]

Luttke, 1957
Luttke, W., Z. Elektrochem., 1957, 61, 302. [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]

Turner and Cox, 1978
Turner, P.H.; Cox, A.P., J. Chem. Soc., 1978, Faraday Trans. 2 74, 533. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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