The development of new conjugated organic materials for dyes, sensors, imaging, and flexible light emitting diodes, field-effect transistors, and photovoltaics has largely relied upon assembling π-conjugated molecules and polymers from a limited number of building blocks. The use of the dithiolodithiole heterocycle as a conjugated building block for organic materials is described. The resulting...

The practical realization of smart optical filters, i.e. devices which change their optical transmission in a suitable way to keep a working state for a general light sensitive element , can involve the use of conjugated molecules whose light absorption properties are lightintensity dependent (nonlinear optical effect). The verification of optical limiting displayed by some particular conjugate...

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The photophysical properties of two newly synthesized photoactive compounds with asymmetrical D-pi-A structure and symmetrical D-pi-A-pi-D structure are investigated in different aprotic solvents by steady-state and femtosecond fluorescence depletion measurements. It is found that the asymmetrical DA compound has larger dipole moment change than that of the symmetrical DAD compound upon excitat...

The collective electronic oscillators (CEO) approach based on the TDHF approximation is combined with INDO/S, MNDO, AM1, and PM3 semiempirical Hamiltonians. This technique is applied to compute and analyze the electronic structure of acceptor-substituted oligomers and conjugated polymers. Calculated excited-state energies and oscillator strengths agree well with the experimental data and with e...

The harmonic index H(G) of a graph G is defined as the sum of weights 2 d(u) + d(v) of all edges uv of G, where d(u) denotes the degree of a vertex u in G. In this paper, we first present a sharp lower bound on the harmonic index of unicyclic conjugated graphs (unicyclic graphs with a perfect matching). Also a sharp lower bound on the harmonic index of unicyclic graphs is given in terms of the ...

Introduction The assembly of alkane-based molecular layers on metals (e.g. Au, Ag, Pt) and, to a smaller extent, on semiconductors (e.g. GaAs, Si) has been investigated in detail. Such chemistries, although potentially valuable in surface engineering and patterning, cannot facilitate charge transport on the molecular level due to their backbone saturation. On the other hand, π-conjugated system...

Tunnelling currents through tunnelling junctions comprising molecules with cross-conjugation are markedly lower than for their linearly conjugated analogues. This effect has been shown experimentally and theoretically to arise from destructive quantum interference, which is understood to be an intrinsic, electronic property of molecules. Here we show experimental evidence of conformation-driven...

Effective tight-binding models have been introduced to describe vertical electronic excitations in branched conjugated molecules. The excited-state electronic structure is characterized by quantum particles (excitons) that reside on an irregular lattice (graph) that reflects the molecular structure. The methodology allows for the exciton spectra and energy-dependent exciton scattering matrices ...

Donor-acceptor molecules with charge transfer behavior have received a great deal of attention because of their critical role in industrial and biological applications. In this context, numerous studies on the donoracceptor molecules were carried out in recent years. In this article, some of the mentioned aspects have been discussed in detail. Received date: 03/09/2015 Accepted date: 23/12/2015...