A two new charge transfer complexes formed from the interactions between o-tolidine (o-TOL) and picric (PA) or chloranilic (CA) acids, with the compositions, [(o-TOL)(PA)(2)] and [(o-TOL)(CA)(2)] have been prepared. The (13)C NMR, (1)H NMR, (1)H-Cosy, and IR show that the charge-transfer chelation occurs via the formation of chain structures O-H⋯N intermolecular hydrogen bond between 2NH(2) gro...

The group theoretical analysis of the electronic structure of l,4-dihydro-l,4-bis (dicyanoinethylene)triptycene leads to an interesting but rarely documented notion, "charge transfer transition for symmetry forbidden charge transfer interaction" , which was supported by the substituent effects on the charge transfer band shifts. The substituent effects on the charge transfer band shifts were al...

The triple-proton-transfer reactions of 8H-1,8-naphthyridin-2-one (8H-naph) have been investigated by employing different ab initio quantum mechanical methods. The proton transfer reactions studied were facilitated through complexation of 8H-naph with a 1,3-propanediol molecule or two adjacent water molecules. Identical proton transfer reactions were studied using a model system of 8Hnaph to in...

the charge transfer (ct) complex formation of benzonitrile as acceptor with the aromatic donors o-, m-, p-xylene and ethylbenzene in ccl4 solutions is investigated by chemical shift measurements relative to an external reference. the equilibrium parameters, q and dad of their weak molecular complexes, as found numerically modified cresswel- allred (c-a) method, is compared with graphically scat...

stability of the π-π stacking interactions in the ben||substituted-coronene and hfben||substituted-coronene complexes was studied using the computational quantum chemistry methods (where ben and hfben are benzene and hexaflourobenzene, || denotes π-π stacking interaction, substituted-coronene is coronene molecule which substituted with four x groups, and x= nh2, ch3, oh, h, f, cf3, cn and no). ...

Magnetic field effects on photo induced electron transfer reaction have been of much interest in a view of designing an effective light energy conversion system. Supramolecular system is known as a convenient tool to construct effective donor-acceptor structures for the reaction. In this review, we briefly describe our studies of supramolecular type complexation of porphyrin-viologen linked com...

This study investigated theoretical photoinduced charge transport in a bulk heterojunction (BHJ) solar cell controlled by an external electric field. Our method for visualizing charge difference density identified the excited state properties of photoinduced charge transfer, and the charge transfer excited states were distinguished from local excited states during electronic transitions. Furthe...

Here, we report on the first electrochemical study that reveals the kinetics and molecular level mechanism of heterogeneous ion-ionophore recognition at plasticized polymer membrane/water interfaces. The new kinetic data provide greater understanding of this important ion-transfer (IT) process, which determines various dynamic characteristics of the current technologies that enable highly selec...