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Photoinduced Rydberg ionization spectroscopy of the B state of benzonitrile cation.

Authors :
Xu, Haifeng
Johnson, Philip M.
Sears, Trevor J.
Source :
Journal of Chemical Physics; 10/28/2006, Vol. 125 Issue 16, p164331, 7p, 2 Charts, 4 Graphs
Publication Year :
2006

Abstract

Photoinduced Rydberg ionization (PIRI) spectra of the second excited electronic state of benzonitrile cation were recorded via the origin and 6a<superscript>1</superscript> and 6b<superscript>1</superscript> vibrational levels of the cation ground electronic state. This B←X transition was verified to be a forbidden <superscript>2</superscript>B<subscript>2</subscript>←<superscript>2</superscript>B<subscript>1</subscript> transition with an origin at 17 225 cm<superscript>-1</superscript> above the ground ionic state. By the use of vibronic coupling calculations, as well as symmetry analysis and comparison of the PIRI spectra via different ground vibrational levels, a nearly complete assignment of the vibrational structure was made, and the vibrational frequencies of the B <superscript>2</superscript>B<subscript>2</subscript> state of benzonitrile cation were obtained based on the assignments. Comparisons of the experimental spectra with simulations from the vibronic structure calculations are also used to validate the theoretical procedures used in the simulations. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00219606
Volume :
125
Issue :
16
Database :
Complementary Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
22988383
Full Text :
https://doi.org/10.1063/1.2355675