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

Sangjoon Hahn, Keyngwon Kwak, Minhaeng Cho

Research output: Contribution to journalArticle

37 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
DOIs
Publication statusPublished - 2000 Mar 8

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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