Please use this identifier to cite or link to this item: https://scholarbank.nus.edu.sg/handle/10635/76696
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dc.titleOrbital interactions in ethynylpyridines
dc.contributor.authorNg, S.C.
dc.contributor.authorNovak, I.
dc.contributor.authorYou, X.
dc.contributor.authorHuang, W.
dc.date.accessioned2014-06-23T05:45:58Z
dc.date.available2014-06-23T05:45:58Z
dc.date.issued1998-02-05
dc.identifier.citationNg, S.C.,Novak, I.,You, X.,Huang, W. (1998-02-05). Orbital interactions in ethynylpyridines. Journal of Physical Chemistry A 102 (6) : 904-908. ScholarBank@NUS Repository.
dc.identifier.issn10895639
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/76696
dc.description.abstractHe 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.
dc.sourceScopus
dc.typeArticle
dc.contributor.departmentCHEMISTRY
dc.description.sourcetitleJournal of Physical Chemistry A
dc.description.volume102
dc.description.issue6
dc.description.page904-908
dc.description.codenJPCAF
dc.identifier.isiutNOT_IN_WOS
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