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
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.