The Mechanism for Hydrogen Abstraction by n,π Excited Singlet States: Evidence for Thermal Activation and Deactivation through a Conical Intersection

A conical intersection along the reaction coordinate of hydrogen ion by molecules in n,π* excited singlet states is responsible for the solvent‐induced fluorescence quenching of azoalkanes [see equation]. This novel photochemical reaction mechanism, a case of aborted hydrogen ion, was examined by ex...

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Bibliographic Details
Published inAngewandte Chemie International Edition Vol. 37; no. 1-2; pp. 98 - 101
Main Authors Nau, Werner M., Greiner, Gerhard, Wall, Julia, Rau, Hermann, Olivucci, Massimo, Robb, Michael A.
Format Journal Article
LanguageEnglish
Published Weinheim WILEY-VCH Verlag GmbH 02.02.1998
WILEY‐VCH Verlag GmbH
Subjects
Ab initio calculations
Azo compounds
Hydrogen transfer
Isotope effects
Photochemistry
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Summary:A conical intersection along the reaction coordinate of hydrogen ion by molecules in n,π* excited singlet states is responsible for the solvent‐induced fluorescence quenching of azoalkanes [see equation]. This novel photochemical reaction mechanism, a case of aborted hydrogen ion, was examined by experiment and theory. Mutually consistent results on the observed low activation energies and the deuterium isotope effects were obtained.
Bibliography:ArticleID:ANIE98
ark:/67375/WNG-HKSWPGWF-C
istex:5871206CF0B16CFB065F4E9B30969A082D2DAF08
ISSN:1433-7851
1521-3773
DOI:10.1002/(SICI)1521-3773(19980202)37:1/2<98::AID-ANIE98>3.0.CO;2-5