Two-dimensional vibrational spectroscopy. IV. Relationship between through-space vibrational coupling and intermolecular distance

Sangjoon Hahn, Kyungwon Kwak, Minhaeng Cho

Research output: Contribution to journalArticle

36 Citations (Scopus)

Abstract

By means of the ab initio calculation, the second-order nonlinear derivatives of the dipole moment and polarizability of a dimer, CO⋯HCl, with respect to the two, CO and HCl, stretching modes are found to be inversely proportional to r3, where r is the intermolecular distance. The observed r-dependencies are interpreted by taking into account the dipole-induced-dipole interaction. Thus, it is shown that the intermolecular distance between two vibrational chromophores can be estimated by quantitatively examining the cross-peak intensity in a given 2D (two dimensional) vibrational spectrum.

Original languageEnglish
Pages (from-to)4553-4556
Number of pages4
JournalJournal of Chemical Physics
Volume112
Issue number10
Publication statusPublished - 2000 Mar 8

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Vibrational spectroscopy
Dipole moment
Vibrational spectra
Carbon Monoxide
Chromophores
Dimers
Stretching
dipoles
Derivatives
vibrational spectra
spectroscopy
chromophores
dipole moments
dimers
interactions

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

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abstract = "By means of the ab initio calculation, the second-order nonlinear derivatives of the dipole moment and polarizability of a dimer, CO⋯HCl, with respect to the two, CO and HCl, stretching modes are found to be inversely proportional to r3, where r is the intermolecular distance. The observed r-dependencies are interpreted by taking into account the dipole-induced-dipole interaction. Thus, it is shown that the intermolecular distance between two vibrational chromophores can be estimated by quantitatively examining the cross-peak intensity in a given 2D (two dimensional) vibrational spectrum.",
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N2 - By means of the ab initio calculation, the second-order nonlinear derivatives of the dipole moment and polarizability of a dimer, CO⋯HCl, with respect to the two, CO and HCl, stretching modes are found to be inversely proportional to r3, where r is the intermolecular distance. The observed r-dependencies are interpreted by taking into account the dipole-induced-dipole interaction. Thus, it is shown that the intermolecular distance between two vibrational chromophores can be estimated by quantitatively examining the cross-peak intensity in a given 2D (two dimensional) vibrational spectrum.

AB - By means of the ab initio calculation, the second-order nonlinear derivatives of the dipole moment and polarizability of a dimer, CO⋯HCl, with respect to the two, CO and HCl, stretching modes are found to be inversely proportional to r3, where r is the intermolecular distance. The observed r-dependencies are interpreted by taking into account the dipole-induced-dipole interaction. Thus, it is shown that the intermolecular distance between two vibrational chromophores can be estimated by quantitatively examining the cross-peak intensity in a given 2D (two dimensional) vibrational spectrum.

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