ORBITAL INTERACTIONS IN ETHYNYLPYRIDINES

Citation
Sc. Ng et al., ORBITAL INTERACTIONS IN ETHYNYLPYRIDINES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(6), 1998, pp. 904-908
Citations number
15
Categorie Soggetti
Chemistry Physical
ISSN journal
10895639
Volume
102
Issue
6
Year of publication
1998
Pages
904 - 908
Database
ISI
SICI code
1089-5639(1998)102:6<904:OIIE>2.0.ZU;2-U
Abstract
He I and He II photoelectron spectra of several isomeric ethynyl- and diethynylpyridines have been measured. The spectra were analyzed with the aid of empirical arguments: relative band intensities and comparis on with spectra of related compounds (ethynylbenzenes), AMI calculatio ns were also performed to confirm the assignment. We have deduced for the first time, solely on empirical grounds, the presence of orbital i nteractions between nitrogen lone pairs and in-plane pi-orbitals of th e ethynyl group. Relative Lewis basicities are predicted and rationali zed.