Electron transfer dynamics as regulator of biological activity in biomolecular systems coordinated by trimer nanoclusters

Abstract

In the given paper the minimal theoretical model for the description of kinetic processes in the organic nanocomposite material is offered. The subject of simulation is a three-center nanocluster embedded in an organic matrix. It is assumed that this three-center nanocluster has two equivalent centers tunnelcoupled with the intermediate center. Here, it is taken into account the influence on the electron and vibrational dynamics of such nanocluster the following external factors: the periodic electric field and the surrounding matrix. It is supposed that the organic matrix contains in a basis the biopolymer or a supramolecular protein system, and also it is considered as a weak ordered and nondissipative. Applying the extended Holstein’s Hamiltonian, choosing the wave function in the form electron-vibrational coherent package and using the canonical Hamilton’s equations the differential equation system relatively the chosen variational parameters was obtained. Hereafter, this differential equation system was solved numerically and some of the results, which represent the most interesting regimes of the electron density distribution, were depicted graphically. Finally, these regimes are analyzed with regard to their possible application in the optoelectronics and regard to their ability to affect the biological activity of investigated system.