Superexchange electron tunneling mediated by solvent molecules: pulsed electron paramagnetic resonance study on electronic coupling in solvent-separated radical ion pairs
Article Abstract:
A simple three-dimensional model of VDA, in which the through solvent tunneling pathways exponentially increased with the increase in the intermolecular distance in bulk, condensed media is proposed. A nanosecond, pulsed electron paramagnetic resonance (EPR) technique has been applied to characterize beta for charge-recombination (CR) reactions in several intermolecular radical ion pairs systems produced by the triplet-precursor photoinduced electron transfer reactions in fluid solutions.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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Predictions of hole mobilities in oligoacene organic semiconductors from quantum mechanical calculations
Article Abstract:
The hole mobility for oligoacene crystals are estimated using quantum mechanics (QM) to calculate the reorganization energy, electron-transfer coupling matrix elements and molecular dynamics (MD) to do the thermal averaging. The mobilities for organic crystals are estimated as a function of temperature and pressure and applied to four oligoacenes pentacene, tetracene, anthracene, and napthalene.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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Unified theory on rates for electron transfer mediated by a midway molecule, bridging between superexchange and sequential processes
Article Abstract:
An analytic formula, eq 5.30, for the rate constant K(sub a,d) of the ET mediated by a midway molecule as a single process is presented. A measure D(sub os) for the degree of ordinary sequentially of the ET is presented as analytical formula.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2001
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