Ultrafast multidimensional dynamics of strong hydrogen bonds |
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| Authors: | GK Paramonov H Naundorf O Kühn |
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| Institution: | Institut für Chemie, Physikalische und Theoretische Chemie, Freie Universit?t Berlin, Takustr. 3, 14195 Berlin, Germany, DE
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| Abstract: | The laser driven dynamics of the OH(D) stretching vibration in phthalic acid monomethylester is investigated. The combination
of a 55-dimensional all-Cartesian reaction surface Hamiltonian and the time-dependent self-consistent field approach is shown
to provide a microscopic picture of intramolecular vibrational energy redistribution taking place upon interaction with an
external laser field. Choosing suitable zeroth-order vibrational states and combinations thereof a quasi-periodic in-phase and out-of-phase oscillatory behavior is observed manifesting energy flow on different time scales. The fingerprints of this behavior in transient
absorption spectroscopy are also discussed.
Received 24 August 2000 and Received in final form 11 October 2000 |
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| Keywords: | PACS 33 15 Fm Bond strengths dissociation energies – 31 15 Ar Ab initio calculations – 31 15 Qg Molecular dynamics and other numerical methods |
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