About: Isomerizational and conformational study of methyl-2-cyano-3-methoxyacrylate and methyl-2-cyano-3-aminoacrylate and its N-methyl derivatives

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About: Isomerizational and conformational study of methyl-2-cyano-3-methoxyacrylate and methyl-2-cyano-3-aminoacrylate and its N-methyl derivatives Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
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. 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. (en)
Title	Isomerizational and conformational study of methyl-2-cyano-3-methoxyacrylate and methyl-2-cyano-3-aminoacrylate and its N-methyl derivatives Isomerizational and conformational study of methyl-2-cyano-3-methoxyacrylate and methyl-2-cyano-3-aminoacrylate and its N-methyl derivatives (en)
skos:prefLabel	Isomerizational and conformational study of methyl-2-cyano-3-methoxyacrylate and methyl-2-cyano-3-aminoacrylate and its N-methyl derivatives Isomerizational and conformational study of methyl-2-cyano-3-methoxyacrylate and methyl-2-cyano-3-aminoacrylate and its N-methyl derivatives (en)
skos:notation	RIV/60461373:22340/11:43872853!RIV12-MSM-22340___
http://linked.open...avai/predkladatel	Fakulta chemicko-inženýrská
http://linked.open...avai/riv/aktivita	S
http://linked.open...avai/riv/aktivity	S
http://linked.open...iv/cisloPeriodika	1
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Matějka, Pavel
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Vysoká škola chemicko-technologická v Praze / Fakulta chemicko-inženýrská
http://linked.open...dnocenehoVysledku	205926
http://linked.open...ai/riv/idVysledku	RIV/60461373:22340/11:43872853
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Solvent effect; Ab initio calculations; Push-pull compounds; Conformational analysis; Vibrational and NMR spectra (en)
http://linked.open.../riv/klicoveSlovo	Conformational analysis Push-pull compounds Solvent effect Vibrational and NMR spectra Ab initio calculations
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[06BB91A7D664]
http://linked.open...i/riv/nazevZdroje	Journal of Molecular Structure
http://linked.open...in/vavai/riv/obor	CB
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	7 (xsd:int)
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	993
http://linked.open...iv/tvurceVysledku	Matějka, Pavel Gatial, A. Gróf, M. Juhásová, H. Kožíšek, J. Milata, V. Prónayová, N.
http://linked.open...ain/vavai/riv/wos	000291066000037
issn	0022-2860
number of pages	11 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.molstruc.2010.11.043
http://localhost/t...ganizacniJednotka	22340
is http://linked.open...avai/riv/vysledek of	Isomerizational and conformational study of methyl-2-cyano-3-methoxyacrylate and methyl-2-cyano-3-aminoacrylate and its N-methyl derivatives Isomerizational and conformational study of methyl-2-cyano-3-methoxyacrylate and methyl-2-cyano-3-aminoacrylate and its N-methyl derivatives

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