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| - Effects of Vibrational Frequency Correlations on Two-Dimensional Infrared Spectra
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| - The response functions needed for simulating and fitting two-dimensional infrared spectra are describedincluding the distributions of vibrational frequency, anharmonicity, and coupling between vibrators. A simplemethod that does not involve explicit calculation is introduced to characterize the spectral line narrowingproperties of each of the quantum paths contributing to 2D IR. It is shown that the 2D IR spectra need to becollected in both positive and negative frequency quadrants in order to optimize the information needed toevaluate these correlations. Two experimental examples of heterodyned 2D IR (acetone in ethylene glycoland acetylproline-ND2 in D2O) are described where the 2D IR spectra are obtained for both the conventionalecho sequence of pulse delays and for the usually nonrephased signal. These two sets of spectra are quitedifferent for both examples, as predicted. The latter exhibits an echo only when there is some anticorrelationbetween the relevant inhomogeneous distributions.
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