Ab initio investigation of the structure of the x²a′, a²a″ (1²Π) spectral system of hco: Investigation of the magnetic hyperfine effects

Abstract

Results of an ab initio study of the hyperfine structure of the X2A′, A2A″ (1 2Π) system of the formyl radical are presented. Special attention is paid to the analysis of the interplay between the vibronic and magnetic hyperfine effects. The results of computations are in very good agreement with the available experimental findings. The values for the hyperfine coupling constants in lower bending levels of both electronic species are predicted. © 1994 Academic Press, Inc.