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On the additivity of bond dipole moments. Stark effect studies of the rotationally resolved electronic spectra of aniline, benzonitrile, and aminobenzonitrile |
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| Authors: | David R. Borst Timothy M. Korter David W. Pratt |
| Affiliation: | Department of Chemistry, University of Pittsburgh, 605 Chevron Science Center, Pittsburgh, PA 15260, USA |
| 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 μa(ABN)≈μa(AN)+μa(BN) in the excited S1 state, but not in the ground S0 state. Possible reasons for this non-additivity are discussed. |
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