On the additivity of bond dipole moments. Stark effect studies of the rotationally resolved electronic spectra of aniline, benzonitrile, and aminobenzonitrile

David R. Borst, Timothy Michael Korter, David W. Pratt

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Abstract

We study the influence of an applied electric field on the fully resolved electronic spectra of aniline (AN), benzonitrile (BN), and 4-aminobenzonitrile (ABN) in the gas phase. Using these data, we test the commonly held but rarely proven assumption that the total dipole moment of a polyatomic molecule is the vector sum of bond dipole moments, localized in different parts of the molecule. We find that μ a(ABN)≈μ a(AN)+μ a(BN) in the excited S 1 state, but not in the ground S 0 state. Possible reasons for this non-additivity are discussed.

Original languageEnglish (US)
Pages (from-to)485-490
Number of pages6
JournalChemical Physics Letters
Volume350
Issue number5-6
DOIs
StatePublished - Dec 28 2001
Externally publishedYes

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ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

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