Orbital interactions in ethynylpyridines

Siu Choon Ng, Igor Novak, Xiaomei You, Wei Huang

Research output: Contribution to journalArticlepeer-review

11 Citations (Scopus)

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 comparison with spectra of related compounds (ethynylbenzenes). AM1 calculations were also performed to confirm the assignment. We have deduced for the first time, solely on empirical grounds, the presence of orbital interactions between nitrogen lone pairs and in-plane π-orbitals of the ethynyl group. Relative Lewis basicities are predicted and rationalized.

Original languageEnglish
Pages (from-to)904-908
Number of pages5
JournalJournal of Physical Chemistry A
Volume102
Issue number6
Publication statusPublished - 05 Feb 1998

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