Publication detail

HOMO and LUMO energy levels of N,N- dinitrophenyl-substituted polar diketopyrrolopyrroles (DPP)

VALA, M. KRAJČOVIČ, J. LUŇÁK, S. OUZZANE, I. BOUILLON, J-P. WEITER, M.

Original Title

Type

journal article in Web of Science

Language

English

Original Abstract

Polar N,N- dinitrophenyl-substituted diketopyrrolopyrroles (DPP) were prepared. The LUMO levels (3.65-3.69 eV) are almost independent of the polar substituents. DFT calculations reveal LUMO exclusively on 2,4-dinitro-phenyl substituents. The energy of LUMO is close to the optimal range for electron donors in BHJ SC. The HOMO is tunable by the character of the polar substituents.

Keywords

Diketopyrrolopyrrole; Arylation; Cyclic voltammetry; Absorption; DFT

Authors

VALA, M.; KRAJČOVIČ, J.; LUŇÁK, S.; OUZZANE, I.; BOUILLON, J-P.; WEITER, M.

RIV year

2014

Released

2. 6. 2014

Publisher

ELSEVIER

ISBN

0143-7208

Periodical

DYES AND PIGMENTS

Year of study

2014

Number

106

State

United Kingdom of Great Britain and Northern Ireland

Pages from

136

Pages to

142

Pages count

BibTex

@article{BUT105577,
  author="VALA, M. and KRAJČOVIČ, J. and LUŇÁK, S. and OUZZANE, I. and BOUILLON, J-P. and WEITER, M.",
  title="HOMO and LUMO energy levels of N,N- dinitrophenyl-substituted polar diketopyrrolopyrroles (DPP)",
  journal="DYES AND PIGMENTS",
  year="2014",
  volume="2014",
  number="106",
  pages="136--142",
  issn="0143-7208"
}