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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Dates
Type | When |
---|---|
Created | 23 years, 1 month ago (July 26, 2002, 8:19 a.m.) |
Deposited | 1 year, 6 months ago (Feb. 10, 2024, 10:52 a.m.) |
Indexed | 1 year, 6 months ago (Feb. 12, 2024, 3:03 p.m.) |
Issued | 25 years, 5 months ago (March 8, 2000) |
Published | 25 years, 5 months ago (March 8, 2000) |
Published Print | 25 years, 5 months ago (March 8, 2000) |
@article{Hahn_2000, title={Two-dimensional vibrational spectroscopy. IV. Relationship between through-space vibrational coupling and intermolecular distance}, volume={112}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.481014}, DOI={10.1063/1.481014}, number={10}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Hahn, Sangjoon and Kwak, Keyngwon and Cho, Minhaeng}, year={2000}, month=mar, pages={4553–4556} }