TOLUENE INTERNAL ROTATION: REFINED BARRIER HEIGHT IN $S_{1}$. SIGN OF $V_{6}$, AND MOTION ALONG THE TORSIONAL $COORDINATE.^{a}$

Borst, David R.; Pratt, D. W.

TOLUENE INTERNAL ROTATION: REFINED BARRIER HEIGHT IN $S_{1}$. SIGN OF $V_{6}$, AND MOTION ALONG THE TORSIONAL $COORDINATE.^{a}$

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Date

2000

Authors

Borst, David R.

Pratt, D. W.

Publisher

Ohio State University

Abstract

High resolution electronic spectra of three torsional bands in the $S 1 ← S 0$ electronic transition of toluene have been recorded in a molecular beam. The analyses of these spectra provide a unique and unambigious determination of the sign of the $V 6$ hindering potential in both electronic states; $V 6 (S 0)=−4.874 c m −1$ and $V 6 (S 1)=−26.375 c m −1$ . Furthermore, the data show that both F and the frame rotational constant $A F$ vary between torsional levels within the $S 1$ manifold. Information about geometric changes responsible for these differences will be discussed, along with the validity of the one-dimensional, rigid frame-rigid top model.

Description

$a$ Work supported by NSF

Author Institution: Department of Chemistry, University of Pittsburgh

URI

http://hdl.handle.net/1811/19844

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Abstracts of OSU International Symposium on Molecular Spectroscopy 2000-2009

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