Lopez, Vicente and Fairen, Victor and Lederman, Steven M. and Marcus, R. A. (1986) Local group modes and the dynamics of intramolecular energy transfer across a heavy atom. Journal of Chemical Physics, 84 (10). pp. 5494-5503. ISSN 0021-9606 http://resolver.caltech.edu/CaltechAUTHORS:LOPjcp86
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The dynamics of energy transfer is discussed for a model system in which two ligands are separated by a heavy atom. Numerical and analytical results are given for the case that each ligand is a CC. In the quasiperiodic regime, the dynamics are interpreted using perturbation theory. Local group modes involved in an intramolecular energy localization which can occur in this regime are identified. An approximate separation of the primarily ligand–ligand motions from the primarily ligand–metal–ligand ones occurs in the clearly quasiperiodic regime and also at an energy where the power spectra of the bond coordinates are "grassy." The overall analysis is used to make predictions for systems with larger ligands, when the primarily metal atom–ligand modes are, as above, approximately separable from the primarily intraligand ones.
|Additional Information:||Copyright © 1986 American Institute of Physics. It is a pleasure to acknowledge the support of the National Science Foundation and of the U.S.-Spain Committee for Scientific and Technological Cooperation. We also acknowledge fruitful discussions with Dr. V.K. Babamov and invaluable computational assistance from Dr. D.W. Noid. Arthur Amos Noyes Laboratory of Chemical Physics, Contribution No. 7255.|
|Subject Keywords:||ENERGY TRANSFER, LIGAND FIELD THEORY, OSCILLATION MODES, ANHARMONICITY, POLYATOMIC MOLECULES|
|Usage Policy:||No commercial reproduction, distribution, display or performance rights in this work are provided.|
|Deposited By:||Archive Administrator|
|Deposited On:||23 Jun 2008|
|Last Modified:||26 Dec 2012 10:07|
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