Detail publikačního výsledku
Optical properties of 2,3-diaza-1,3-butadiene bridged oligothiophenes A combined experimental and theoretical study
V. Lukes, M. Breza, D. Vegh, P. Hrdlovic, J. Krajcovic, V. Laurinc
Originální název
Optical properties of 2,3-diaza-1,3-butadiene bridged oligothiophenes A combined experimental and theoretical study
Anglický název
Optical properties of 2,3-diaza-1,3-butadiene bridged oligothiophenes A combined experimental and theoretical study
Druh
Článek recenzovaný mimo WoS a Scopus
Originální abstrakt
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
Anglický abstrakt
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
Klíčová slova
Oligothiophenes; Oligothiophene bridged derivatives; Syntheses; Polarisability; Second-order hyperpolarisability; Electron absorption and luminescence spectra
Klíčová slova v angličtině
Oligothiophenes; Oligothiophene bridged derivatives; Syntheses; Polarisability; Second-order hyperpolarisability; Electron absorption and luminescence spectra
Autoři
V. Lukes, M. Breza, D. Vegh, P. Hrdlovic, J. Krajcovic, V. Laurinc
Vydáno
11.03.2002
Nakladatel
ELSEVIER
ISSN
0379-6797
Svazek
129
Strany od
85
Strany do
94
Strany počet
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",
year="2002",
volume="129",
pages="85--94"
}