Theoretical investigation of the charge injection effects on the electronic properties of substituted oligodiacetylenes

Article Abstract:

The charge-induced modifications in the ground state molecular geometry and in the electronic properties of two types of fully carbazolyl-substituted oligodiacetylenes, CBDs (1,4-bis-(N-carbazolyl)-1,3-butadiyene) and CHDs (1,6-bis(N-carbazolyl-2,4-hexadiyne), are studied. The collective electronic oscillator (CEO) approach is used to compute the excitations in terms of the one-electron transition density matrixes (CEO-modes).

Cyclic Crude and Intermediate Manufacturing, Butadiene, Acetylene

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Electronic structure of thienylene vinylene oligomers: Singlet excited states, triplet excited states, cations, and dications

Article Abstract:

The study describes a quantum chemical study of the electronic structure of thienylene vinylene oligomers ranging in size from two thienylene rings (2TV) to 12TV. The geometries of the TV oligomers in the ground state, the lowest triplet state, and the singly and doubly oxidized states are optimized.

Observations, Quantum chemistry, Oligomers

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Evidence for metal-like electronic contribution in low-temperature heat capacity of polypyrrole

Article Abstract:

Heat capacity measurements in the temperature range of 0.6 to 12 K are conducted on doped polypyrrole films. At low temperature, a finite electronic contribution gamma prevails in all samples.

Electric properties, Conducting polymers, Pyrrole, Pyrroles

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