Electric Permittivity in Individual Atomic and Molecular Systems Through Direct Associations with Electric Dipole Polarizability and Chemical Hardness

Autor: Paweł Szarek
Rok vydání: 2017
Předmět:
Zdroj: The Journal of Physical Chemistry C. 121:12593-12602
ISSN: 1932-7455
1932-7447
Popis: The particular role in the interaction with external electromagnetic fields is played by local dielectric environment, hence the electric permittivity of a medium. This includes both the intramolecular screening effects as well the neighbor interactions with, i.e., solvent molecules, which conclude in modified electronic transport properties, i.e., of single-molecule junctions. Specific features of molecular (a few electron) systems require a unique approach to their characterization because transfer of just one electron alters the system significantly. Under these circumstances the electron–electron interaction depicted through a screening phenomenon in individual systems has been directly related to electric dipole polarizability and chemical hardness. The relation with these two fundamental electronic response functions quantifies a physical basis for field energy storage as associated with charge delocalization. This sheds new light on how the chemical reactivity affects behavior of molecular electron...
Databáze: OpenAIRE