SPECTROSCOPY AND CONFORMATION OF A SERIES OF BENZYLIDENE CYCLOALKANES
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Date
1994
Journal Title
Journal ISSN
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Publisher
Ohio State University
Abstract
Electronic spectra were recorded in a series of jet-cooled benzylidene cycloalkanes where the cycloalkane was varied in size from cyclobutane to cyclohexane (illustrated below) in order to alter the magnitude of [FIGURE] the steric interaction between the two rings. All spectra displayed extended low-frequency progressions which have been assigned to the torsional motion of the phenyl ring, thereby indicating that considerable change in the torsional geometry occurs following excitation to the lowest lying singlet excited state. Analysis of the level spacings leads to a detailed picture of the excited stated torsional potential energy surfaces and a value for the equilibrium torsional angles in the ground electronic state. The experimentally derived ground state conformations are compared with those predicted by several different levels of theoretical calculations.
Description
Author Institution: Department of Chemistry and Center for Photochemical Sciences, Bowling Green State University