Nonlinear optical response of molecule in inhomogeneous solvation environment: A response theory formalism

Solvejg Jørgensen; Mark A. Ratner; Kurt V. Mikkelsen

doi:10.1063/1.1400127

Nonlinear optical response of molecule in inhomogeneous solvation environment: A response theory formalism

Solvejg Jørgensen, Mark A. Ratner, Kurt V. Mikkelsen^*

^*Corresponding author for this work

Chemistry

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

15 Scopus citations

Abstract

A method that enables the determination of quadratic response molecular properties of heterogeneously solvated molecules is presented. The method describes the situation where a solvated molecule is located on a metallic surface. It is demonstrated that the two-photon matrix elements and the frequency-dependent hyperpolarizabilities for a heterogeneously solvated CO molecule depend on the distance to the metal surface and the dielectric constant of the solvent.

Original language	English (US)
Pages (from-to)	8185-8192
Number of pages	8
Journal	Journal of Chemical Physics
Volume	115
Issue number	17
DOIs	https://doi.org/10.1063/1.1400127
State	Published - Nov 1 2001

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1063/1.1400127

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abstract = "A method that enables the determination of quadratic response molecular properties of heterogeneously solvated molecules is presented. The method describes the situation where a solvated molecule is located on a metallic surface. It is demonstrated that the two-photon matrix elements and the frequency-dependent hyperpolarizabilities for a heterogeneously solvated CO molecule depend on the distance to the metal surface and the dielectric constant of the solvent.",

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AU - Jørgensen, Solvejg

AU - Ratner, Mark A.

AU - Mikkelsen, Kurt V.

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Y1 - 2001/11/1

N2 - A method that enables the determination of quadratic response molecular properties of heterogeneously solvated molecules is presented. The method describes the situation where a solvated molecule is located on a metallic surface. It is demonstrated that the two-photon matrix elements and the frequency-dependent hyperpolarizabilities for a heterogeneously solvated CO molecule depend on the distance to the metal surface and the dielectric constant of the solvent.

AB - A method that enables the determination of quadratic response molecular properties of heterogeneously solvated molecules is presented. The method describes the situation where a solvated molecule is located on a metallic surface. It is demonstrated that the two-photon matrix elements and the frequency-dependent hyperpolarizabilities for a heterogeneously solvated CO molecule depend on the distance to the metal surface and the dielectric constant of the solvent.

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Nonlinear optical response of molecule in inhomogeneous solvation environment: A response theory formalism

Abstract

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