Electron donor-acceptor orbital correlations. 8. Selection rules for vibrational enhancement of intermolecular electron transfer
- Univ. of South Florida, Tampa (USA)
Transient intermolecular vibrational modes of the intermediate 1:1 donor-acceptor complex not only permit energy conservation along the reaction coordinate but by virtue of their transformation properties also modify the symmetry of the reaction surfaces involved in intermolecular electron transfer. Symmetry species are assigned to these transient modes for complexes belonging to C{sub s}, C{sub 2v}, and C{sub 3v} point groups in order to identify those modes that provide an adiabatic channel for the electronically diabatic process. Since each symmetry species of these point groups is represented by at least one transient mode, it is concluded that geminate charge recombination via unconstrained 1:1 EDA complexes should be efficient.
- OSTI ID:
- 5679501
- Journal Information:
- Journal of Physical Chemistry; (USA), Journal Name: Journal of Physical Chemistry; (USA) Vol. 95:5; ISSN JPCHA; ISSN 0022-3654
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
400201* -- Chemical & Physicochemical Properties
ALKENES
AROMATICS
BENZENE
CALCULATION METHODS
DATA
DATA ANALYSIS
ELECTRON TRANSFER
ENERGY LEVELS
ETHYLENE
EXCITED STATES
HYDROCARBONS
INFORMATION
NUMERICAL DATA
ORGANIC COMPOUNDS
THEORETICAL DATA
VAN DER WAALS FORCES
VIBRATIONAL STATES