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Issue 21, 2009
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Structure and internal rotation in the S0 and S1 states of o-toluidine studied by high resolution UV spectroscopy

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Abstract

The rotationally resolved spectrum of the o-toluidine S1← S0 origin was measured using laser induced fluorescence spectroscopy. From the resulting spectrum torsional barriers to internal rotation of the methyl group were derived, which resulted in S0 state values of V3 = 699 ± 11 cm−1 and V6 = 64 ± 11 cm−1 with an effective rotational constant F of 5.38 ± 0.04 cm−1 while for the S1 state the result was V3 = 40.87 ± 0.14 cm−1 and V6 = −16.8 ± 0.8 cm−1 with F = 5.086 ± 0.001 cm−1. The S1 state structure was found to be severely distorted, with the methyl group making a 7.7° degree angle with the benzene ring. Evidence of an excited state precessional motion of the methyl group was found.

Graphical abstract: Structure and internal rotation in the S0 and S1 states of o-toluidine studied by high resolution UV spectroscopy

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Publication details

The article was received on 26 Nov 2008, accepted on 23 Feb 2009 and first published on 19 Mar 2009


Article type: Paper
DOI: 10.1039/B821157D
Phys. Chem. Chem. Phys., 2009,11, 4311-4318

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    Structure and internal rotation in the S0 and S1 states of o-toluidine studied by high resolution UV spectroscopy

    I. Kalkman, C. Vu, M. Schmitt and W. L. Meerts, Phys. Chem. Chem. Phys., 2009, 11, 4311
    DOI: 10.1039/B821157D

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