DETECTION OF THE H$_2$PS FREE RADICAL BY LASER SPECTROSCOPY

Research Projects

Organizational Units

Journal Issue

Abstract

The previously unobserved H2PS free radical has been detected by laser-induced fluorescence (LIF) techniques. H2PS (and D2PS) were produced in a pulsed discharge jet using a precursor gas mixture of Cl3PS vapor and hydrogen (or deuterium) in high pressure argon. Our \italicab \italicinitio predictions of the ground and excited state frequencies and excitation energy are in good agreement with the results obtained by vibrational analysis of the LIF and single vibronic level (SVL) emission spectra. High-resolution spectra of the hybrid 000 bands of H2PS and D2PS were analyzed by band contour methods to obtain approximate ground and excited state rotational constants and molecular structures. The electronic transition involves promotion of an electron from the π to the π orbital and is assigned as \~B2A−\~X2A. The results will be discussed in comparison to \italicab \italicinitio predictions and the spectra of other X2PS radicals recently studied in our laboratory.

Description

Author Institution: Department of Chemistry, University of Kentucky, Lexington, KY 40506-0055, USA; Dipartimento di Chimica Fisica ed Inorganica, Universita di Bologna, 40136 Bologna, Italy

Keywords

Citation