Publication detail

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

Original Title

Optical properties of 2,3-diaza-1,3-butadiene bridged oligothiophenes A combined experimental and theoretical study

English Title

Optical properties of 2,3-diaza-1,3-butadiene bridged oligothiophenes A combined experimental and theoretical study

Type

journal article - other

Language

en

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

English 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

Released

11.03.2002

Publisher

ELSEVIER

Pages from

85

Pages to

94

Pages count

10

Documents

BibTex


@article{BUT104745,
  author="Jozef {Krajčovič}",
  title="Optical properties of 2,3-diaza-1,3-butadiene bridged oligothiophenes A combined experimental and theoretical study",
  annote="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",
  address="ELSEVIER",
  chapter="104745",
  institution="ELSEVIER",
  volume="129",
  year="2002",
  month="march",
  pages="85--94",
  publisher="ELSEVIER",
  type="journal article - other"
}