Cyanomethyl radical

Formula: C₂H₂N
Molecular weight: 40.0440
IUPAC Standard InChI: InChI=1S/C2H2N/c1-2-3/h1H2
IUPAC Standard InChIKey: XSTKDMFTWATIQP-UHFFFAOYSA-N
CAS Registry Number: 2932-82-3
Chemical structure:
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Vibrational and/or electronic energy levels

State: X

Vib. sym.	No.	Approximate type of mode	cm^-1	Med.	Method	References


a₁	3	CH₂ scissor	1432.3	Ar	IR	Cho and Andrews, 2011
	4	C-C stretch	1026.0	Ar	IR	Cho and Andrews, 2011
b₁	5	H₂CC OPLA	663.79	gas	PE DL	Moran, Ellis, et al., 1987 Sumiyoshi, Tanaka, et al., 1996
	5	H₂CC OPLA	664.6	Ar	IR	Cho and Andrews, 2011

Additional references: Jacox, 1994, page 250; Jacox, 1998, page 280; Jacox, 2003, page 264; Saito, Yamamoto, et al., 1988; Saito and Yamamoto, 1997; Ozeki, Hirao, et al., 2004

References

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Cho and Andrews, 2011
Cho, H.-G.; Andrews, L., Matrix Infrared Spectra and Density Functional Calculations of the H, J. Phys. Chem. A, 2011, 115, 31, 8638, https://doi.org/10.1021/jp204887y . [all data]

Moran, Ellis, et al., 1987
Moran, S.; Ellis, H.B., Jr.; DeFrees, D.J.; McLean, A.D.; Ellison, G.B., Carbanion spectroscopy: CH₂CN^-, J. Am. Chem. Soc., 1987, 109, 5996. [all data]

Sumiyoshi, Tanaka, et al., 1996
Sumiyoshi, Y.; Tanaka, K.; Tanaka, T., Time-resolved infrared diode laser spectroscopy of the ν5 band of the cyanomethyl radical (H2CCN), J. Chem. Phys., 1996, 104, 5, 1839, https://doi.org/10.1063/1.471709 . [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]

Saito, Yamamoto, et al., 1988
Saito, S.; Yamamoto, S.; Irvine, W.M.; Ziurys, L.M.; Suzuki, H.; Ohishi, M.; Kaifu, N., Laboratory detection of a new interstellar free radical CH2CN(2B1), Astrophys. J., 1988, 334, L113, https://doi.org/10.1086/185324 . [all data]

Saito and Yamamoto, 1997
Saito, S.; Yamamoto, S., The microwave spectrum of the cyanomethyl radical CH[sub 2]CN([sup 2]B[sub 1]), J. Chem. Phys., 1997, 107, 6, 1732, https://doi.org/10.1063/1.475154 . [all data]

Ozeki, Hirao, et al., 2004
Ozeki, H.; Hirao, T.; Saito, S.; Yamamoto, S., Laboratory Microwave Spectroscopy of the Cyanomethyl Radical, CH, Astrophys. J., 2004, 684, 1, 680, https://doi.org/10.1086/425229 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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