A determination of the structure of the intramolecular charge transfer state of 4-dimethylaminobenzonitrile (DMABN) by time-resolved resonance raman spectroscopy

Wai Ming Kwok, C. Ma, P. Matousek, A. W. Parker, D. Phillips, W. T. Toner, M. Towrie, S. Umapathy

Research output: Journal article publicationJournal articleAcademic researchpeer-review

97 Citations (Scopus)

Abstract

Picosecond time-resolved resonance Raman spectra of the A (intramolecular charge transfer, ICT) state of DMABN, DMABN-d6and DMABN-15N have been obtained. The isotopic shifts identify the vs(ph-N) mode as a band at 1281 cm-1. The ∼96 cm-1downshift of this mode from its ground state frequency rules out the electronic coupling PICT model and unequivocally supports the electronic decoupling TICT model. However, our results suggest some pyramidal character of the A state amino conformation.
Original languageEnglish
Pages (from-to)984-990
Number of pages7
JournalJournal of Physical Chemistry A
Volume105
Issue number6
DOIs
Publication statusPublished - 15 Feb 2001
Externally publishedYes

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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