Structure of Isolated Xanthone in the T 1 State Obtained via Combined UV/IR Spectroscopy

In order to extend combined UV/IR spectroscopy to triplet states, xanthone has been chosen as a model system due to its efficient intersystem crossing (ISC). The IR/R2PI (resonant two‐photon ionisation) spectrum of the electronic ground state (S 0 ) as well as the IR spectrum of the T 1 state have b...

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Bibliographic Details
Published inChemphyschem Vol. 10; no. 11; pp. 1882 - 1886
Main Authors Bartl, Kristina, Funk, Andreas, Gerhards, Markus
Format Journal Article
LanguageEnglish
Published 03.08.2009
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ISSN1439-4235
1439-7641
DOI10.1002/cphc.200900097

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Summary:In order to extend combined UV/IR spectroscopy to triplet states, xanthone has been chosen as a model system due to its efficient intersystem crossing (ISC). The IR/R2PI (resonant two‐photon ionisation) spectrum of the electronic ground state (S 0 ) as well as the IR spectrum of the T 1 state have been recorded in a supersonic jet. We show that the IR spectrum of a triplet state can be recorded subsequent to an ISC. In combination with DFT and TDDFT calculations, structural assignments are performed and geometrical changes are identified.
ISSN:1439-4235
1439-7641
DOI:10.1002/cphc.200900097