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V. Lukes, M. Breza, D. Vegh, P. Hrdlovic, J. Krajcovic, V. Laurinc
Original Title
Optical properties of 2,3-diaza-1,3-butadiene bridged oligothiophenes A combined experimental and theoretical study
Type
journal article - other
Language
English
Original Abstract
The syntheses, spectral measurements and the AM1 (Austin model 1) geometry optimisation of N,N0-bis-thiophen-2-ylmethylenehydrazine (IIIa), N,N0-bis-(3-methyl-thiophen-2-ylmethylene)-hydrazine (IIIb), N-[2,20]-bithiophen-5-ylmethylene-N0-thiophen-2-ylmethylene- hydrazine (IIIc), N,N0-bis-[2,20]-bithiophen-5-ylmethylene-hydrazine (IIId), N-[2,20; 50,200]-terthiophen-5-ylmethylene-N0-thiophene- 2-ylmethylene-hydrazine (IIIe), N-[2,20]-bithiophen-5-ylmethylene-N0-[2,20; 50,200]-terthiophen-5-ylmethylene-hydrazine (IIIf) and N,N0- bis-[2,20; 50,200]-terthiophen-5-ylmethylene-hydrazine (IIIg) are elaborated. The electron absorption spectra for all-trans conformers are obtained by ZINDO/S method and compared with the experimental data. The influence of the chain length on the electronic polarisability and second-order hyperpolarisability is investigated using the time-dependent Hartree–Fock method in AM1 approach
Keywords
Oligothiophenes; Oligothiophene bridged derivatives; Syntheses; Polarisability; Second-order hyperpolarisability; Electron absorption and luminescence spectra
Authors
Released
11. 3. 2002
Publisher
ELSEVIER
ISBN
0379-6797
Periodical
Synth. Metals
Year of study
129
State
unknown
Pages from
85
Pages to
94
Pages count
10
BibTex
@article{BUT104745, author="Jozef {Krajčovič}", title="Optical properties of 2,3-diaza-1,3-butadiene bridged oligothiophenes A combined experimental and theoretical study", journal="Synth. Metals", year="2002", volume="129", pages="85--94", issn="0379-6797" }