The rotationally resolved electronic spectra of several conformers of 1-hexoxy and 1-heptoxy

Abstract

Laser-induced fluorescence excitation spectra of five vibronic bands of 1-hexoxy and three bands of 1-heptoxy have been recorded in a jet-cooled environment. Experimental values of rotational constants for both the [Formula: see text] and [Formula: see text] states and components of the spin-rotational tensor for the [Formula: see text] state were obtained by an analysis of the partially resolved rotational structure of the vibronic bands. Comparing these experimental results with quantum chemistry calculations, and using corresponding assignments of smaller alkoxy radicals as a guide, permitted unambiguous conformational assignments for the bands. The extension of similar assignments to larger alkoxy radicals is also discussed. Key words: electronic spectroscopy, organic radicals, combustion, atmospheric chemistry.