화학공학소재연구정보센터
Chemical Physics Letters, Vol.621, 129-133, 2015
An experimental and theoretical study on rotational constants of vibrationally excited CH2OO
Pure rotational transitions of the simplest Criegee intermediate, CH2OO, were observed for several excited vibrational levels by Fourier-transform microwave spectroscopy combined with a double-resonance technique, and precise rotational constants of vibrationally excited CH2OO were determined. Comparing the experimentally determined vibration-rotation constants with those derived from a high-level ab initio potential energy surface, vibrational assignments were made for the observed levels. The observed intensities of the 1(01)-O-00 rotational lines suggested that the COO bending mode is significantly excited. (C) 2014 Elsevier B.V. All rights reserved.