Organic compounds containing methoxy and cyanoacrylic acid: Synthesis, characterization, crystal structures, and theoretical studies
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F15%3A00456426" target="_blank" >RIV/68378271:_____/15:00456426 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1134/S1063774515070123" target="_blank" >http://dx.doi.org/10.1134/S1063774515070123</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1134/S1063774515070123" target="_blank" >10.1134/S1063774515070123</a>
Alternative languages
Result language
angličtina
Original language name
Organic compounds containing methoxy and cyanoacrylic acid: Synthesis, characterization, crystal structures, and theoretical studies
Original language description
Metal-free organic compounds 24-SC ((E)-2-cyano-3-(2,4-dimethoxyphenyl)acrylic acid) and 34-SC ((E)-2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid), containing methoxy groups as a donor and the acrylic acid as an acceptor were synthesized and characterizedby CHN, FT-IR, UV-Vis, 1H-NMR and single crystal X-ray diffraction and used as photosensitizers for the application of dye-sensitized solar cells (DSSC). The sensitizing characteristics of them were evaluated. To get further insight into the effect of molecular structure on the performance of DSSC, their geometry and energies of HOMO and LUMO were optimized by density functional theory calculation at the B3LYP/6-31G(d) level with Gaussian 03. Overall conversion efficiencies of 0.78 under full sunlight irradiation are obtained for DSSCs based on the new metal-free organic dyes 24-SC and 34-SC.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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Result continuities
Project
<a href="/en/project/GA15-12653S" target="_blank" >GA15-12653S: Validation and Interpretation of Modulated Structures</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Crystallography Reports
ISSN
1063-7745
e-ISSN
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Volume of the periodical
60
Issue of the periodical within the volume
7
Country of publishing house
RU - RUSSIAN FEDERATION
Number of pages
8
Pages from-to
1019-1026
UT code for WoS article
000365442100005
EID of the result in the Scopus database
2-s2.0-84947812632