Charge redistribution on electronic excitation. Dipole moments of cis- and trans-3-aminophenol in their S0 and S1 electronic states

Jennifer A. Reese, Tri V. Nguyen, Timothy M. Korter, David W. Pratt

Research output: Contribution to journalArticlepeer-review

31 Scopus citations

Abstract

Rotationally resolved electronic spectroscopy in the gas phase, in the absence and presence of an applied electric field, has been used to distinguish the two conformers of 3-aminophenol (3AP) on the basis of differences in their electric dipole moments. cis-3AP has μ = 2.3 D, and trans-3AP has μ = 0.7 D, in their ground electronic states. The two observed values are approximately equal to those expected on the basis of bond dipole additivity rules. However, these rules fail to predict the large change in both the magnitude and the orientation of μ when the two conformers of 3AP absorb light. cis-3AP has μ = 3.3 D, and trans-3AP has μ = 1.7 D, in their excited S1 electronic states; the angles of orientation of μ with respect to the a inertial axis change by 13° and 38°, respectively. This effect is attributed to 1Lb/1La state mixing in the S1 state.

Original languageEnglish (US)
Pages (from-to)11387-11392
Number of pages6
JournalJournal of the American Chemical Society
Volume126
Issue number36
DOIs
StatePublished - Sep 15 2004

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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