TY - JOUR
T1 - On the additivity of bond dipole moments. Stark effect studies of the rotationally resolved electronic spectra of aniline, benzonitrile, and aminobenzonitrile
AU - Borst, David R.
AU - Korter, Timothy M.
AU - Pratt, David W.
N1 - Funding Information:
This work has been supported by NSF (CHE-9987048). We thank Dr. Martin Schaefer for helpful discussions.
PY - 2001/12/28
Y1 - 2001/12/28
N2 - 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.
AB - 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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U2 - 10.1016/S0009-2614(01)01344-6
DO - 10.1016/S0009-2614(01)01344-6
M3 - Article
AN - SCOPUS:0001802336
SN - 0009-2614
VL - 350
SP - 485
EP - 490
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 5-6
ER -