Microwave spectrum and non-planarity of 2-aminopyrimidine
- 1 January 1976
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
- Vol. 72, 920-926
- https://doi.org/10.1039/f29767200920
Abstract
The microwave spectra of the ground and first three excited states of the inversion vibration of 2-aminopyrimidine-NH2 and for the ground and first excited inversion state of 2-aminopyrimidine-ND2 have been assigned. Vibration rotation interactions prevent an accurate determination of the amine group geometry but there is considerable evidence to indicate a greater tendency towards molecular planarity in 2-aminopyrimidine than in a number of other amine molecules. SCF computations using STO/3G orbitals support this suggestion.Keywords
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