2H-Azirine

Formula: C₂H₃N
Molecular weight: 41.0519
CAS Registry Number: 157-16-4
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Gas phase ion energetics data

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Data compiled by: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

View reactions leading to C₂H₃N⁺ (ion structure unspecified)

Ionization energy determinations

IE (eV)	Method	Reference	Comment
10.1	PE	Bock and Dammel, 1987
10.58	PE	Bock and Dammel, 1987	Vertical value
10.58	PE	Bock, Dammel, et al., 1983	Vertical value

Vibrational and/or electronic energy levels

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Data compiled by: Marilyn E. Jacox

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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Bock and Dammel, 1987
Bock, H.; Dammel, R., Cycloalkanimine 2H-azirin, 1-azetin, 1-pyrrolin, 1-piperidein, und 3,4,5,6-tetrahydro-2H-azepin: Darstellung und photoelektronen-spektren, Chem. Ber., 1987, 120, 1971. [all data]

Bock, Dammel, et al., 1983
Bock, H.; Dammel, R.; Aygen, S., Gas-phase reactions. 36. Pyrolysis of vinyl azide, J. Am. Chem. Soc., 1983, 105, 7681. [all data]

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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