Orbital interactions in ethynylpyridines

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

doi:10.1021/jp973090b

Orbital interactions in ethynylpyridines

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

National University of Singapore

Research output: Contribution to journal › Article › peer-review

10 Scopus citations

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 language	English
Pages (from-to)	904-908
Number of pages	5
Journal	Journal of Physical Chemistry A
Volume	102
Issue number	6
DOIs	https://doi.org/10.1021/jp973090b
State	Published - 5 Feb 1998
Externally published	Yes

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title = "Orbital interactions in ethynylpyridines",

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.",

author = "Ng, {Siu Choon} and Igor Novak and Xiaomei You and Wei Huang",

year = "1998",

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doi = "10.1021/jp973090b",

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journal = "Journal of Physical Chemistry A",

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T1 - Orbital interactions in ethynylpyridines

AU - Ng, Siu Choon

AU - Novak, Igor

AU - You, Xiaomei

AU - Huang, Wei

PY - 1998/2/5

Y1 - 1998/2/5

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=0032484773&partnerID=8YFLogxK

U2 - 10.1021/jp973090b

DO - 10.1021/jp973090b

M3 - 文章

AN - SCOPUS:0032484773

SN - 1089-5639

VL - 102

SP - 904

EP - 908

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 6

ER -

Orbital interactions in ethynylpyridines

Abstract

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