Molecular crystals from thiophene molecules can be doped with TCNQ-F4 molecules for use in all-organic optoelectronic and semiconductor devices. The charge transfer and the molecular orbital energy level formation in between these two organic molecules are investigated here by density functional theory calculations. The isolated molecules are calculated nonbonded and bonded together, forming a ...

We have studied the dynamics of electron transfer between the molecules of an organic donor–acceptor pair upon absorption of light. Specifically, we considered the tetrathiafulvalene (TTF)–7,7,8,8tetracyanoquinodimethane (TCNQ) donor–acceptor pair using time-dependent density functional theory with local-density approximation. The molecular planes of the two components are parallel to each othe...

In this paper we use the pseudofermion dynamical theory (PDT) in the study of the one-electron removal singular spectral features the one-dimensional Hubbard model. The PDT reveals that in the whole (k, ω)-plane such features are of power-law type and correspond to well defined lines of three types: the charge singular branch lines, the spin singular branch lines, and the border lines. One of o...

2014 Translational and librational modes of TTF and TCNQ molecules are treated within the framework of classical Landau theory. The various parameters are estimated from the crystalline structure. The Coulomb forces between TTF sulphurs and TCNQ nitrogens are assumed to be dominant, and this approximation establishes a hierarchy of interactions, which in turn gives rise to a cascade of displaci...

The reactions of TCNE- and TCNQ-functionalized (TCNE: tetracyanoethylene and TCNQ: 7,7',8,8'-tetracyanoquinodimethane) zwitterionic benzoquinonemonoimines with a Cu(I)-BIAN complex (BIAN = bis(o,o'-bisisopropylphenyl)acenaphthenequinonediimine) have been investigated and found to follow a diversity of interesting patterns. The complexes [Cu(BIAN)(NCMe)(L2)]BF4 (2) and [Cu(BIAN)(L2)2]BF4 (4) wer...

The radical complex {(mu(4)-TCNQF4)[Re(CO)(3)(bpy)](4)}(PF(6))(3), as prepared and isolated from the reaction between TCNQF4 and [Re(CO)(3)(bpy)(MeOH)](PF(6)), was studied electrochemically and by IR vibrational spectroscopy, UV-Vis-NIR absorption spectroscopy, and by EPR at 9.5, 190 and 285 GHz. The isotropic g factor of 2.0058, the detectable g anisotropy, and the (185,187)Re EPR hyperfine co...

Article history: Received on: 07/09/2013 Revised on: 19/09/2013 Accepted on: 23/11/2013 Available online: 29/11/2013 This work presents two simple and direct spectrophotometric methods for determination of rabeprazole sodium (RB) through charge transfer complexation reactions. The first method is based on the reaction of the drug with p-chloranilic acid (p-CA) in acetonitrile to give a red colo...