Publication result 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
WoS Article
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
Key words in English
Diketopyrrolopyrrole; Arylation; Cyclic voltammetry; Absorption; DFT
Authors
VALA, M.; KRAJČOVIČ, J.; LUŇÁK, S.; OUZZANE, I.; BOUILLON, J-P.; WEITER, M.
RIV year
2015
Released
02.06.2014
Publisher
ELSEVIER
ISBN
0143-7208
Periodical
Dyes and Pigments
Volume
2014
Number
106
State
United Kingdom of Great Britain and Northern Ireland
Pages from
136
Pages to
142
Pages count
7
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"
}