Publication detail

Synthesis, structure, spectral properties and DFT quantum chemical calculations of 4-aminoazobenzene dyes. Effect of intramolecular hydrogen bonding on photoisomerization

A. Georgiev, E. Bubev, D. Dimov, D. Yancheva, I. Zhivkov, J. Krajčovič, M. Vala, M. Weiter, M. Machkova

Original Title

Synthesis, structure, spectral properties and DFT quantum chemical calculations of 4-aminoazobenzene dyes. Effect of intramolecular hydrogen bonding on photoisomerization

English Title

Synthesis, structure, spectral properties and DFT quantum chemical calculations of 4-aminoazobenzene dyes. Effect of intramolecular hydrogen bonding on photoisomerization

Type

journal article in Web of Science

Language

en

Original Abstract

Three different “push-pull” 4-aminoazobenzene dyes with intramolecular hydrogen bonding have been synthesized. DFT quantum chemical calculations and NBO analysis of trans (E) and cis (Z) isomers have been performed. The HOMO and LUMO energy levels were calculated and experimentally estimated. The photochromic behavior was discussed in different solvent polarity. The photoisomerization has been investigated in CHCl3 and DMF.

English abstract

Three different “push-pull” 4-aminoazobenzene dyes with intramolecular hydrogen bonding have been synthesized. DFT quantum chemical calculations and NBO analysis of trans (E) and cis (Z) isomers have been performed. The HOMO and LUMO energy levels were calculated and experimentally estimated. The photochromic behavior was discussed in different solvent polarity. The photoisomerization has been investigated in CHCl3 and DMF.

Keywords

4-aminoazobenzene dyesDFT quantum chemical calculationsHOMO and LUMO energy levelsSolvatochromismPhotoisomerizationUV-VIS spectroscopy

Released

15.03.2017

Publisher

Elsevier

Location

London

Pages from

76

Pages to

91

Pages count

17

URL

Documents

BibTex


@article{BUT145940,
  author="Ivaylo {Zhivkov} and Deyan {Dimov} and Jozef {Krajčovič} and Martin {Vala} and Martin {Weiter}",
  title="Synthesis, structure, spectral properties and DFT quantum chemical calculations of 4-aminoazobenzene dyes. Effect of intramolecular hydrogen bonding on photoisomerization",
  annote="Three different “push-pull” 4-aminoazobenzene dyes with intramolecular hydrogen bonding have been synthesized.
DFT quantum chemical calculations and NBO analysis of trans (E) and cis (Z) isomers have been performed.
The HOMO and LUMO energy levels were calculated and experimentally estimated.
The photochromic behavior was discussed in different solvent polarity.
The photoisomerization has been investigated in CHCl3 and DMF.",
  address="Elsevier",
  chapter="145940",
  doi="10.1016/j.saa.2016.12.005",
  howpublished="online",
  institution="Elsevier",
  number="1",
  volume="175",
  year="2017",
  month="march",
  pages="76--91",
  publisher="Elsevier",
  type="journal article in Web of Science"
}