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. 2003 Jul 9;125(27):8098-9.
doi: 10.1021/ja021363x.

Mechanism and dynamics of azobenzene photoisomerization

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Mechanism and dynamics of azobenzene photoisomerization

Thomas Schultz et al. J Am Chem Soc. .

Abstract

The excited-state dynamics of trans-azobenzene were investigated by femtosecond time-resolved photoelectron spectroscopy and ab initio molecular dynamics. Two near-degenerate pipi* excited states, S2 and S3,4, were identified in a region hitherto associated with only one excited state. These results help to explain contradictory reports about the photoisomerization mechanism and the wavelength dependence of the quantum yield. A new model for the isomerization mechanism is proposed.

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