TY - JOUR
T1 - Calculations of dipole moments, optical spectra, and second-order hyperpolarizability coefficients of some mono- and disubstituted stilbene models for the design of nonlinear optical materials
AU - Ulman, Abraham
PY - 1988
Y1 - 1988
N2 - The effects of substituents on the ground- and excited-state dipole moments, optical spectra, and second-order hyperpolarizability (β) in mono- and disubstituted stilbenes were studied. It was found that ground-state dipole moments as well as the charge on the 4′-position in 4-substituted stilbenes correlate with ∑σp. For optical spectra (λmax and oscillator strength), excited-state dipole moments, and βzzz, a correlation with both ∑σp and ∑σ+/- was found.
AB - The effects of substituents on the ground- and excited-state dipole moments, optical spectra, and second-order hyperpolarizability (β) in mono- and disubstituted stilbenes were studied. It was found that ground-state dipole moments as well as the charge on the 4′-position in 4-substituted stilbenes correlate with ∑σp. For optical spectra (λmax and oscillator strength), excited-state dipole moments, and βzzz, a correlation with both ∑σp and ∑σ+/- was found.
UR - http://www.scopus.com/inward/record.url?scp=0037571086&partnerID=8YFLogxK
U2 - 10.1021/j100319a056
DO - 10.1021/j100319a056
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AN - SCOPUS:0037571086
SN - 0022-3654
VL - 92
SP - 2385
EP - 2390
JO - Journal of Physical Chemistry
JF - Journal of Physical Chemistry
IS - 8
ER -