Kinetics of Charge Transfer Processes in Molecular Junctions

Raman scattering from molecular conduction junctions: Charge transfer mechanism

We present a model for the charge transfer contribution to surface-enhanced Raman spectroscopy (SERS) in a molecular junction. The model is a generalization of the equilibrium scheme for SERS of a molecule adsorbed on a metal surface [B. N. J. Persson. Chem. Phys. Lett. 82, 561 (1981)]. We extend the same physical consideration to a nonequilibrium situation in a biased molecular junction and to...

Charge transfer processes: the role of optimized molecular orbitals.

The influence of the molecular orbitals on charge transfer (CT) reactions is analyzed through wave function-based calculations. Characteristic CT processes in the organic radical 2,5-di-tert-butyl-6-oxophenalenoxyl linked with tetrathiafulvalene and the inorganic crystalline material LaMnO3 show that changes in the inner shells must be explicitly taken into account. Such electronic reorganizati...

Foundations of Molecular Electronics — Charge Transport in Molecular Conduction Junctions

The most fundamental structure involved in molecular electronics is a molecular transport junction, consisting of one (ideally) or more molecules extending between two electrodes. These junctions combine the fundamental process of intramolecular electron transfer with the mixing of molecular and continuum levels at the electrodes and the nonequilibrium process of voltage-driven currents. Much o...

Charge Transfer in Molecular Crystals.

Ultrafast charge transfer processes in solution

Charge transfer reactions in solution are of fundamental importance in many areas of chemistry and biology. As commonly accepted, electron transfer reaction is regarded as the simplest chemical reaction because of the absence of bond-breaking and bondforming processes. It plays a key role in biocatalysis and in photosynthesis. On the other hand, neutralisation reactions between Brønsted acids a...