Microwave spectrum of one rotamer of allylamine

• Published in: Journal of molecular spectroscopy 1971-01, Vol.38 (3), p.535-544
• Main Authors: Roussy, G., Demaison, J., Botskor, I., Rudolph, H.D.
• Format: Article
• Language: English
• ISSN: 0022-2852; 1096-083X
• DOI: 10.1016/0022-2852(71)90080-4

The ground-state microwave spectrum of one rotamer of allylamine has been measured and assigned. Both conventional Stark-effect and double-resonance spectroscopy have been employed for this purpose. The spectrum was conclusively identified as due to the N- cis, N-lone-pair- trans form of the molecule by means of the rotational constants, N-quadrupole coupling constants, and dipole-moment components. We have obtained (in MHz): A 0 = 16 107.2, B 0 = 5 680.83, C 0 = 4 409.13; χ aa = −4.04 ± 0.06, χ bb − χ cc = 0.38 ± 0.2, and (in Debye) | μ a | = 0.893 ± 0.004, | μ b | = 0.06 ± 0.02. Indication for an opening of the heavy-atom skeleton bond angles compared with standard values appears to exist as in the structurally very similar molecule cis-butene-1.