AB-INITIO INVESTIGATION OF THE STRUCTURE OF THE X(2)A', A(2)A'' (1(2)PI) SPECTRAL SYSTEM OF HCO - INVESTIGATION OF THE MAGNETIC HYPERFINE EFFECTS

Authors
STAIKOVA M PERIC M ENGELS B PEYERIMHOFF SD
Citation
M. Staikova et al., AB-INITIO INVESTIGATION OF THE STRUCTURE OF THE X(2)A', A(2)A'' (1(2)PI) SPECTRAL SYSTEM OF HCO - INVESTIGATION OF THE MAGNETIC HYPERFINE EFFECTS, Journal of molecular spectroscopy, 166(2), 1994, pp. 423-440
Citations number
36
Categorie Soggetti
Spectroscopy,"Physics, Atomic, Molecular & Chemical
Journal title
Journal of molecular spectroscopy → ACNP
ISSN journal
00222852
Volume
166
Issue
2
Year of publication
1994
Pages
423 - 440
Database
ISI
SICI code
0022-2852(1994)166:2<423:AIOTSO>2.0.ZU;2-Y
Abstract
Results of an ab initio study of the hyperfine structure of the X2 A', A2 A'' (1 2II) system of the formyl radical are presented. Special at tention is paid to the analysis of the interplay between the vibronic and magnetic hyperfine effects. The results of computations are in ver y good agreement with the available experimental findings. The values for the hyperfine coupling constants in lower bending levels of both e lectronic species are predicted. (C) 1994 Academic Press, Inc.