Substrate-induced polymorphism of organic electronic molecules

Polymer-induced self-assembly of small organic molecules into ultralong microbelts with electronic conductivity.

The principle of polymer-controlled crystallization of inorganic materials has been successfully transferred to functional aromatic organic dyes, in this instance 3,4,9,10-perylenetetracarboxylic acid potassium salt (PTCAPS), after its single-crystal structure was determined. The cationic double hydrophilic block copolymer poly(ethylene glycol)-block-branched-poly(ethyleneimine) (PEG-b-PEI) was...

Relation between Electronic Structure and Chemical Reactivity of Organic Molecules

This paper gives a brief history of the establishment of relations between electronic structure and chemical reactivity of molecules obtained by using quantum mechanical techniques. After a short introduction devoted to the qualitative period a more important part of the paper is concerned with the discussion of the methods which permit some estimations of the constant rates. Both static and dy...

Magnetic hardening induced by nonmagnetic organic molecules.

We reveal for the first time through a theoretical first-principles study that the adsorption of a nonmagnetic π-conjugated organic molecule on a ferromagnetic surface locally increases the strength of the magnetic exchange interaction between the magnetic atoms binding directly to the molecule. This magnetic hardening effect leads to the creation of a local molecular mediated magnetic unit wit...

Tailoring Benzodithiophene Core Molecules for Organic Electronic Applications

Rectification of laser-induced electronic transport through molecules

We study the influence of laser radiation on the electron transport through a molecular wire weakly coupled to two leads. In the absence of a generalized parity symmetry, the molecule rectifies the laser-induced current, resulting in directed electron transport without any applied voltage. We consider two generic ways of dynamical symmetry breaking: mixing of different harmonics of the laser fi...