Isomerizational and conformational study of methyl-2-cyano-3-methoxyacrylate and methyl-2-cyano-3-aminoacrylate and its N-methyl derivatives
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F11%3A43872853" target="_blank" >RIV/60461373:22340/11:43872853 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.molstruc.2010.11.043" target="_blank" >http://dx.doi.org/10.1016/j.molstruc.2010.11.043</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.molstruc.2010.11.043" target="_blank" >10.1016/j.molstruc.2010.11.043</a>
Alternative languages
Result language
angličtina
Original language name
Isomerizational and conformational study of methyl-2-cyano-3-methoxyacrylate and methyl-2-cyano-3-aminoacrylate and its N-methyl derivatives
Original language description
The isomers and conformers of four push-pull compounds: methyl-2-cyano-3-methoxyacrylate (MCMA) H(3)C-O-CH=C(CN)(COOCH(3)), methyl-2-cyano-3-aminoacrylate (MCAA) H(2)N-CH=C(CN)(COOCH(3)), methyl-2-cyano-3-methylaminoacrylate (MCMAA) H(3)C-NH-CH=C(CN)(COOCH(3)) and methyl-2-cyano-3-dimethylaminoacrylate (MCDMAA) (H(3)C)(2)N-CH=C(CN)(COOCH(3)) have been studied experimentally by vibrational and NMR spectroscopy and theoretically by the ab initio calculations at MP2 level in 6-311++G** basis set. The IR and Raman spectra of all compounds as a solid and solute in various solvents have been recorded in the region 4000-50 cm(-1). The NMR spectra were obtained in chloroform, acetonitrile and DMSO at room temperature.
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
CB - Analytical chemistry, separation
OECD FORD branch
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Result continuities
Project
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Continuities
S - Specificky vyzkum na vysokych skolach
Others
Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Molecular Structure
ISSN
0022-2860
e-ISSN
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Volume of the periodical
993
Issue of the periodical within the volume
1
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
11
Pages from-to
232-242
UT code for WoS article
000291066000037
EID of the result in the Scopus database
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