Theoretical study of the electronic spectra of s-triazine vapour-Reference-Cited by-同舟云学术

Theoretical study of the electronic spectra of s-triazine vapour

Published:2009-08 Issue:8 Volume:87 Page:1148-1153
ISSN:0008-4042
Container-title:Canadian Journal of Chemistry
language:en
Short-container-title:Can. J. Chem.

Author:

Chong Delano P.¹

Affiliation:

1. Department of Chemistry, 2036 Main Mall, The University of British Columbia, Vancouver, BC V6T 1Z1, Canada. (e-mail: ).

Abstract

The ionization and excitation spectra of valence and core electrons of s-triazine in the gas phase are studied with ab initio, density functional, and semi-empirical methods. The results are compared with available experimental data and previous calculations. New estimates are proposed for the ionization energies of both valence and core electrons. The calculated excitation energies are consistent with experiment.

Publisher

Canadian Science Publishing

Subject

Organic Chemistry,General Chemistry,Catalysis

Link

http://www.nrcresearchpress.com/doi/pdf/10.1139/V09-084

Reference35 articles.

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