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Singlet and Triplet Valence Excited States of Pyrimidine

Date

Authors

Fischer, Gad

Cai, Zheng-Li

Reimers, Jeffrey R

Wormell, Paul

Publisher

American Chemical Society

Abstract

The absorption spectrum of pyrimidine vapor at 75 °C in the region of the first singlet - triplet transition, encompassing hot bands of the first singlet - singlet transition, has been obtained and analyzed with the aid of extensive ab initio (EOM-CCSD,

Keywords

Keywords: Absorption spectroscopy; Electron energy levels; Electron spectroscopy; Fluorescence; Hydrogen bonds; Molecular vibrations; Phosphorescence; Potential energy; Probability density function; Rate constants; Excited states; Vibrational frequencies; Organic c

URI

http://hdl.handle.net/1885/76397

Collections

ANU Research Publications

Source

Journal of Physical Chemistry A

Type

Journal article

DOI

10.1021/jp0221385