ELECTRONIC SPECTROSCOPY OF JET-COOLED 2-METHOXYNAPHTHALENE

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1997

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Ohio State University

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The $S_{1}-S_{0}$ electronic transition of jet cooled 2 methoxynaphthalene (2MXN) has been investigated by use of laser-induced fluorescence spectroscopy. The fluorescence excitation spectrum revealed two electronic origin transitions, separated by $660 cm^{-1}$. They are caused by the presence of a cis and a trans conformation of the methoxy group with respect to the naphthalene frame. Dispersed fluorescence spectra of 25 major transitions in the excitation spectrum of the cis conformer were recorded, employing a liquid nitrogen cooled charge-coupled device (CCD) detector. Atypical, highly structured emission indicates that extensive vibrational mixing in the $S_{1}$ electronic state of cis-2MXN occurs, cause by large normal coordinate (Duschinsky) rotation. Experimentally determined frequencies are compared to the predicted normal mode values of an ab-initio calculation at the HF/6-31$G^{*}$ level. The spectrum, molecular structure, harmonic force field and vibrational coupling will be discussed.

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$^{a}$Support by the Swiss National Science Foundation is gratefully acknowledged.
Author Institution: Department f\""ur Chemie and Biochemie, Universitat Bern, Freiestrasse 3

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