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

Abraham Ulman

doi:10.1021/j100319a056

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

Abraham Ulman

Eastman Kodak

Research output: Contribution to journal › Article › peer-review

53 Scopus citations

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 ∑σ_p. For optical spectra (λ_max and oscillator strength), excited-state dipole moments, and β_zzz, a correlation with both ∑σ_p and ∑σ^+/- was found.

Original language	English
Pages (from-to)	2385-2390
Number of pages	6
Journal	Journal of Physical Chemistry
Volume	92
Issue number	8
DOIs	https://doi.org/10.1021/j100319a056
State	Published - 1988
Externally published	Yes

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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.",

author = "Abraham Ulman",

year = "1988",

doi = "10.1021/j100319a056",

language = "אנגלית",

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journal = "Journal of Physical Chemistry",

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publisher = "American Chemical Society",

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PY - 1988

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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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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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