| Attributes | Values |
|---|
| rdf:type
| |
| Description
| - Tato studie prezentuje srovnání konformačního chování dvou podobných %22push-pull%22 ethylenů, u nichž je možné uplatnění intramolekulárních vodíkových vazeb IČ, Ramanova a NMR spektroskopické studie stejně jako ab initio MP2 a DFT B3LYP teoretické výpočty za použití 6-31G** bázového setu potvrdily, že přítomnost intramolekulární vodíkové vazby má zásadní vliv na konformační chování tohoto typu sloučenin. 3-methylamino-2-acetyl propenenitril (MAAPN) H3C-NH-CH=C(CN) (COCH3) byl připraven jako čistý Z-isomer s intramolekulární vodíkovou vazbou, zatímco 3-methylamino-2-methylsulfonyl propenenitril (MASPN) H3C-NH-CH=C(CN)(SO2CH3) jako čistý E-isomer. MAAPN podléhá v polárních rozpouštědlech částečné isomerizaci. Takový proces nebyl pozorován pro MASPN, který se vyskytuje v roztoku ve formě dvou konformerů s anti a syn orientacemi methylamino skupiny vůči C=C dvojné vazbě, při čemž anti konformer je o cca 2.0 +/- 0.4 kJ mol(-1) více stabilní. Vibrační spektra studovaných molekul byla přiřazena na zák (cs)
- This study presents the comparison of conformational behaviour of two similar push-pull ethylenes in which the possibility to form an intramolecular hydrogen bond exists. The IR, Raman and NMR spectroscopic studies as well as ab initio MP2 and DFT B3LYP theoretical calculations using 6-31G** basis set confirmed that the presence of intramolecular hydrogen bond has an important influence on conformational behaviour of such type compounds. 3-methylamino-2-acetyl propenenitrile (MAAPN) H3C-NH-CH=C(CN) (COCH3) was prepared as pure Z-isomer with intramolecular hydrogen bond while 3-methylamino-2-methylsulfonyl propenenitrile (MASPN) H3C-NH-CH=C(CN)(SO2CH3) as pure E-isomer. MAAPN in polar solutions partially underlies to the isomerization. Such process has not been observed for MASPN which exists in solution in two conformers with the anti and syn orientation of the methylamino group towards the C=C double bond, anti conformer being about 2.0 +/- 0.4 kJ mol(-1) more stable. The vibrational spectra of studi
- This study presents the comparison of conformational behaviour of two similar push-pull ethylenes in which the possibility to form an intramolecular hydrogen bond exists. The IR, Raman and NMR spectroscopic studies as well as ab initio MP2 and DFT B3LYP theoretical calculations using 6-31G** basis set confirmed that the presence of intramolecular hydrogen bond has an important influence on conformational behaviour of such type compounds. 3-methylamino-2-acetyl propenenitrile (MAAPN) H3C-NH-CH=C(CN) (COCH3) was prepared as pure Z-isomer with intramolecular hydrogen bond while 3-methylamino-2-methylsulfonyl propenenitrile (MASPN) H3C-NH-CH=C(CN)(SO2CH3) as pure E-isomer. MAAPN in polar solutions partially underlies to the isomerization. Such process has not been observed for MASPN which exists in solution in two conformers with the anti and syn orientation of the methylamino group towards the C=C double bond, anti conformer being about 2.0 +/- 0.4 kJ mol(-1) more stable. The vibrational spectra of studi (en)
|
| Title
| - Vibrational analysis and conformational study of 3-methylamino2-acetyl propenenitrile and 3-methylamino-2-methylsulfonyl propenenitrile
- Vibrační analýza a konformační studie 3-methylamino2-acetyl propenenitrilu a 3-methylamino-2-methylsulfonyl propenenitrilu (cs)
- Vibrational analysis and conformational study of 3-methylamino2-acetyl propenenitrile and 3-methylamino-2-methylsulfonyl propenenitrile (en)
|
| skos:prefLabel
| - Vibrational analysis and conformational study of 3-methylamino2-acetyl propenenitrile and 3-methylamino-2-methylsulfonyl propenenitrile
- Vibrační analýza a konformační studie 3-methylamino2-acetyl propenenitrilu a 3-methylamino-2-methylsulfonyl propenenitrilu (cs)
- Vibrational analysis and conformational study of 3-methylamino2-acetyl propenenitrile and 3-methylamino-2-methylsulfonyl propenenitrile (en)
|
| skos:notation
| - RIV/60461373:22340/07:00019333!RIV08-MSM-22340___
|
| http://linked.open.../vavai/riv/strany
| |
| http://linked.open...avai/riv/aktivita
| |
| http://linked.open...avai/riv/aktivity
| |
| http://linked.open...iv/cisloPeriodika
| |
| http://linked.open...vai/riv/dodaniDat
| |
| http://linked.open...aciTvurceVysledku
| |
| http://linked.open.../riv/druhVysledku
| |
| http://linked.open...iv/duvernostUdaju
| |
| http://linked.open...titaPredkladatele
| |
| http://linked.open...dnocenehoVysledku
| |
| http://linked.open...ai/riv/idVysledku
| - RIV/60461373:22340/07:00019333
|
| http://linked.open...riv/jazykVysledku
| |
| http://linked.open.../riv/klicovaSlova
| - push-pull ethylenes; vibrational spectra; conformers; solvent effect calculations; hydrogen bond (en)
|
| http://linked.open.../riv/klicoveSlovo
| |
| http://linked.open...odStatuVydavatele
| |
| http://linked.open...ontrolniKodProRIV
| |
| http://linked.open...i/riv/nazevZdroje
| - Journal of Molecular Structure
|
| http://linked.open...in/vavai/riv/obor
| |
| http://linked.open...ichTvurcuVysledku
| |
| http://linked.open...cetTvurcuVysledku
| |
| http://linked.open...UplatneniVysledku
| |
| http://linked.open...v/svazekPeriodika
| |
| http://linked.open...iv/tvurceVysledku
| - Matějka, Pavel
- Gatial, A.
- Milata, V.
- Prónayová, N.
- Liptaj, T.
- Černuchová, P.
- Polovková, J.
|
| issn
| |
| number of pages
| |
| http://localhost/t...ganizacniJednotka
| |
![[RDF Data]](/fct/images/sw-rdf-blue.png)
![[cxml]](/fct/images/cxml_doc.png)
![[csv]](/fct/images/csv_doc.png)
![[text]](/fct/images/ntriples_doc.png)
![[turtle]](/fct/images/n3turtle_doc.png)
![[ld+json]](/fct/images/jsonld_doc.png)
![[rdf+json]](/fct/images/json_doc.png)
![[rdf+xml]](/fct/images/xml_doc.png)
![[atom+xml]](/fct/images/atom_doc.png)
![[html]](/fct/images/html_doc.png)