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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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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Abstract 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.
AbstractList 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.
Author Funk, Andreas
Bartl, Kristina
Gerhards, Markus
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