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

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Abstract

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.

Original languageEnglish (US)
Pages (from-to)2385-2390
Number of pages6
JournalJournal of Physical Chemistry
Volume92
Issue number8
StatePublished - 1988

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Stilbenes
Optical materials
stilbene
Dipole moment
optical materials
optical spectrum
dipole moments
Excited states
Ground state
coefficients
ground state
oscillator strengths
excitation

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

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title = "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",
abstract = "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.",
author = "Abraham Ulman",
year = "1988",
language = "English (US)",
volume = "92",
pages = "2385--2390",
journal = "Journal of Physical Chemistry",
issn = "0022-3654",
publisher = "American Chemical Society",
number = "8",

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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.

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JO - Journal of Physical Chemistry

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