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

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

English Title

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

Type

journal article in Web of Science

Language

en

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.

English 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

RIV year

2014

Released

02.06.2014

Publisher

ELSEVIER

Pages from

136

Pages to

142

Pages count

7

Documents

BibTex


@article{BUT105577,
  author="Martin {Vala} and Jozef {Krajčovič} and Stanislav {Luňák} and Imad {Ouzzane} and Martin {Weiter}",
  title="HOMO and LUMO energy levels of N,N- dinitrophenyl-substituted polar diketopyrrolopyrroles (DPP)",
  annote="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.",
  address="ELSEVIER",
  chapter="105577",
  howpublished="electronic, physical medium",
  institution="ELSEVIER",
  number="106",
  volume="2014",
  year="2014",
  month="june",
  pages="136--142",
  publisher="ELSEVIER",
  type="journal article in Web of Science"
}