TY - JOUR

T1 - Two-dimensional vibrational spectroscopy. IV. Relationship between through-space vibrational coupling and intermolecular distance

AU - Hahn, Sangjoon

AU - Kwak, Kyungwon

AU - Cho, Minhaeng

PY - 2000/3/8

Y1 - 2000/3/8

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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M3 - Article

AN - SCOPUS:0000166565

VL - 112

SP - 4553

EP - 4556

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 10

ER -