Orbital interactions in ethynylpyridines

Please use this identifier to cite or link to this item: https://scholarbank.nus.edu.sg/handle/10635/76696

DC Field	Value
dc.title	Orbital interactions in ethynylpyridines
dc.contributor.author	Ng, S.C.
dc.contributor.author	Novak, I.
dc.contributor.author	You, X.
dc.contributor.author	Huang, W.
dc.date.accessioned	2014-06-23T05:45:58Z
dc.date.available	2014-06-23T05:45:58Z
dc.date.issued	1998-02-05
dc.identifier.citation	Ng, 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.issn	10895639
dc.identifier.uri	http://scholarbank.nus.edu.sg/handle/10635/76696
dc.description.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.
dc.source	Scopus
dc.type	Article
dc.contributor.department	CHEMISTRY
dc.description.sourcetitle	Journal of Physical Chemistry A
dc.description.volume	102
dc.description.issue	6
dc.description.page	904-908
dc.description.coden	JPCAF
dc.identifier.isiut	NOT_IN_WOS
Appears in Collections:	Staff Publications

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