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Multidimensional infrared spectroscopy for molecular vibrational modes with dipolar interactions, anharmonicity, and nonlinearity of dipole moments and polarizability
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10.1063/1.2134702
/content/aip/journal/jcp/123/22/10.1063/1.2134702
http://aip.metastore.ingenta.com/content/aip/journal/jcp/123/22/10.1063/1.2134702
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

A pair of dipoles and which interact with each other under an external electric field along the axis.

Image of FIG. 2.
FIG. 2.

A schematic description of nonlinear IR spectroscopy. A sample interacts with the first electric field at , then with the second one at , and finally with the third one at . The sample radiates an IR field at .

Image of FIG. 3.
FIG. 3.

The linear IR spectral density in Eq. (B1) . The unit of vertical axis is with the speed of light . The upper, middle, and lower figures correspond to the contributions from the linear dipole coefficient, the DID interaction, and the DD interaction in , respectively. The left three figures show real parts of the linear spectral density, , while the right ones show imaginary parts of it, .

Image of FIG. 4.
FIG. 4.

(Color) Contour plots of the second-order IR spectra . The left four figures show , while the right ones show . The upper, upper-middle, lower-middle, and lower figures show the contributions from the nonlinear dipole coefficient, the DID interaction, the DD interaction, and the anharmonicity in , respectively.

Image of FIG. 5.
FIG. 5.

(Color) Contour plots of the third-order IR spectra at . The left four figures show , while the right ones show . The upper, upper-middle, lower-middle, and lower figures show the contributions from the nonlinearity of the dipole moment, the DID interaction, the DD interaction, and the anharmonicity, respectively.

Image of FIG. 6.
FIG. 6.

(Color) The same as Fig. 5 but at , and the horizontal axis is .

Image of FIG. 7.
FIG. 7.

(Color) Magnified views of the real part of Fig. 5 (the upper two figures) and Fig. 6 (the lower two figures). The left figures show sums of the contributions from the nonlinear dipole coefficient, the DD interaction, and the anharmonicity, while the right ones show those from the DID interaction.

Image of FIG. 8.
FIG. 8.

(Color) The same as Fig. 5 but at , and the horizontal and the vertical axes are and , respectively.

Image of FIG. 9.
FIG. 9.

(Color) The same as Fig. 8 but at .

Image of FIG. 10.
FIG. 10.

(Color) The third-order response functions from the nonlinear dipole coefficient (upper), the DID interaction (middle-upper), the DD interaction (middle-lower), and the anharmonicity (lower). The unit of both axes and is . The unit of vertical axis is . We set in the left figures and in the right ones.

Image of FIG. 11.
FIG. 11.

(Color) Magnified views of the real part of Fig. 9 . The upper-left figure represents the effects from the nonlinear dipole coefficient, the DID interaction, and the anharmonicity, while the upper-right one represents the effect of the DD interaction. The lower-left figure shows a sum of the contributions from the nonlinear dipole coefficient, the DID interaction, and the DD interaction, while the lower-right one shows the contribution from the anharmonicity.

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/content/aip/journal/jcp/123/22/10.1063/1.2134702
2005-12-14
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Multidimensional infrared spectroscopy for molecular vibrational modes with dipolar interactions, anharmonicity, and nonlinearity of dipole moments and polarizability
http://aip.metastore.ingenta.com/content/aip/journal/jcp/123/22/10.1063/1.2134702
10.1063/1.2134702
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