### 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 r^{3}, 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 language | English |
---|---|

Pages (from-to) | 4553-4556 |

Number of pages | 4 |

Journal | Journal of Chemical Physics |

Volume | 112 |

Issue number | 10 |

Publication status | Published - 2000 Mar 8 |

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### ASJC Scopus subject areas

- Atomic and Molecular Physics, and Optics

### Cite this

**Two-dimensional vibrational spectroscopy. IV. Relationship between through-space vibrational coupling and intermolecular distance.** / Hahn, Sangjoon; Kwak, Kyungwon; Cho, Minhaeng.

Research output: Contribution to journal › Article

*Journal of Chemical Physics*, vol. 112, no. 10, pp. 4553-4556.

}

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.

UR - http://www.scopus.com/inward/record.url?scp=0000166565&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0000166565&partnerID=8YFLogxK

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 -