Theoretical Studies of Symmetric Five-Membered Heterocycle Derivatives of Carbazole and Fluorene:  Precursors of Conducting Polymers

Structures, electron ionization and excitation energies, and electron density distribution are studied for carbazole and fluorene derivatives substituted symmetrically by thiophene, ethylenodioxythiophene, furane, or pyrrole. The calculated properties of the molecules directly or indirectly mimic mo...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2006-12, Vol.110 (51), p.13989-13994
Hauptverfasser:	Doskocz, Jacek, Doskocz, Marek, Roszak, Szczepan, Soloducho, Jadwiga, Leszczynski, Jerzy
Format:	Artikel
Sprache:	eng
Schlagworte:	Carbazoles - chemistry Computer Simulation Electric Conductivity Fluorenes - chemistry Models, Molecular Molecular Structure Polymers - chemical synthesis Polymers - chemistry Thiophenes - chemistry
Online-Zugang:	Volltext
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