Conformation, hydrogen bonding and large amplitude motion investigation on N-methylethylediamine by microwave spectroscopy

The microwave spectrum of N-methylethylenediamine and several deuterated species has been investigated in the frequency range 26.5–40 GHz. The rotational spectra of two different conformers with a NH ⋯ N internal hydrogen bond have been assigned. Both conformers have the methyl group trans to the C...

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Bibliographic Details
Published in:Journal of molecular structure 1987-04, Vol.157 (4), p.385-398
Main Authors: Caminati, W., Fantoni, A.C., Velino, B.
Format: Article
Language:English
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Summary:The microwave spectrum of N-methylethylenediamine and several deuterated species has been investigated in the frequency range 26.5–40 GHz. The rotational spectra of two different conformers with a NH ⋯ N internal hydrogen bond have been assigned. Both conformers have the methyl group trans to the CC bond. The N atom connected to the methyl group acts as proton donor for a conformer ( T1), and as acceptor for the second one ( T2g). The former is more stable in energy by 0.65(15) kcal mol −1. Rotational lines of several vibrational satellites have been assigned in order to investigate their large amplitude motions and interactions.
ISSN:0022-2860
1872-8014
DOI:10.1016/0022-2860(87)87045-X