2H-Azirine

Formula: C₂H₃N
Molecular weight: 41.0519
CAS Registry Number: 157-16-4
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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	CH stretch	3078.4	w	Ar	IR	Maier, Schmidt, et al., 1993
	2	CH stretch	3005.6	w	Ar	IR	Maier, Schmidt, et al., 1993
	3	C=N stretch	1669.1	w m	Ar	IR	Maier, Schmidt, et al., 1993
	3	C=N stretch	1667.2	w m	Ar	IR	Maier, Schmidt, et al., 1993
	5		1240.5	w m	Ar	IR	Maier, Schmidt, et al., 1993
	5		1237.6	w m	Ar	IR	Maier, Schmidt, et al., 1993
	7		978.7	vs	Ar	IR	Maier, Schmidt, et al., 1993
	7		977.3		Ar	IR	Maier, Schmidt, et al., 1993
	7		974.4		Ar	IR	Maier, Schmidt, et al., 1993
	7		971.5		Ar	IR	Maier, Schmidt, et al., 1993
	7		969.1		Ar	IR	Maier, Schmidt, et al., 1993
a	9	CH₂ a-stretch	3061.5	w	Ar	IR	Maier, Schmidt, et al., 1993
	12		772.9	w m	Ar	IR	Maier, Schmidt, et al., 1993
	12		767.1	w m	Ar	IR	Maier, Schmidt, et al., 1993

Additional references: Jacox, 1998, page 313; Ford, 1977; Bogey, Destombes, et al., 1986

Notes

Weak

Medium

Very strong

References

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Maier, Schmidt, et al., 1993
Maier, G.; Schmidt, C.; Reisenauer, H.P.; Endlein, E.; Becker, D.; Eckwert, J.; Hess, B.A., Jr.; Schaad, L.J., Blausäure-N-methylid: Darstellung, spektroskopische Eigenschaften und seine Beziehung zu anderen C2H3N-Isomeren, Chem. Ber., 1993, 126, 10, 2337, https://doi.org/10.1002/cber.19931261024 . [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]

Ford, 1977
Ford, R.G., Preparation, dipole moment, and quadrupole coupling constants of 2H-azirine, J. Am. Chem. Soc., 1977, 99, 7, 2389, https://doi.org/10.1021/ja00449a085 . [all data]

Bogey, Destombes, et al., 1986
Bogey, M.; Destombes, J.-L.; Denis, J.-M.; Guillemin, J.-C., The millimeter wave rotational spectrum of 2H-azirine, NCH2 CH, J. Mol. Spectrosc., 1986, 115, 1, 1, https://doi.org/10.1016/0022-2852(86)90270-5 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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