3,4-Dinitrothiophene as a central unit of quadrupolar push-pull-push systems
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F17%3A39902726" target="_blank" >RIV/00216275:25310/17:39902726 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1007/s10593-017-2020-1" target="_blank" >http://dx.doi.org/10.1007/s10593-017-2020-1</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s10593-017-2020-1" target="_blank" >10.1007/s10593-017-2020-1</a>
Alternative languages
Result language
angličtina
Original language name
3,4-Dinitrothiophene as a central unit of quadrupolar push-pull-push systems
Original language description
3,4-Dinitrothiophene has been utilized as a central acceptor unit in quadrupolar D-pi-A-pi-D push-pull-push chromophores. Employing cross-coupling and Knoevenagel reactions, nine novel chromophores bearing terminal methoxythiophene donor and systematically extended/varied pi-linker were synthesized. Optical properties were studied by electronic absorption spectra. Fundamental optoelectronic properties were investigated by semiempirical PM7 calculations. It was shown that by varying the pi-conjugated system the longestwavelength absorption maxima can be shifted from 341 to 489 nm. The calculated HOMO-LUMO gaps were found within the range of 6.69-7.29 eV, while the second-order molecular polarizabilities can be tuned from 0.038 to 1.578 x 10(-27) esu.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10401 - Organic chemistry
Result continuities
Project
<a href="/en/project/LG15030" target="_blank" >LG15030: National representative IUPAC 2016-2017</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Chemistry of Heterocyclic Compounds
ISSN
0009-3122
e-ISSN
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Volume of the periodical
53
Issue of the periodical within the volume
1
Country of publishing house
US - UNITED STATES
Number of pages
8
Pages from-to
46-53
UT code for WoS article
000394972700008
EID of the result in the Scopus database
2-s2.0-85011835190