Time-resolved resonance raman and density functional theory study of hydrogen-bonding effects on the triplet state of p-methoxyacetophenone

Wing Sum Chan, Chensheng Ma, Wai Ming Kwok, Lee David Phillips

Research output: Journal article publicationJournal articleAcademic researchpeer-review

43 Citations (Scopus)

Abstract

The structure, dynamics, and hydrogen bonding effects on the triplet state of the phototrigger model compound p-methoxyacetophenone (MAP) were analyzed using piesecond and nanosecond time-resolved resonance Raman spectroscopy combined with density fuctional theory calculations. The ground and triple states of MAP were found to be associated strongly with the water solvent molecules in the 50% H2O/50% MeCN solvent system. H-bonds at the carbonyl site involving one water molecule was found to be the most stable for both the ground and the triplet state. It was also found out that the triplet of both the free MAP and the carbonyl H-bond complex was generated rapidly after photoexcitation.
Original languageEnglish
Pages (from-to)3454-3469
Number of pages16
JournalJournal of Physical Chemistry A
Volume109
Issue number15
DOIs
Publication statusPublished - 21 Apr 2005
Externally publishedYes

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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