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| Description
| - Isomery a konformery dvou %22push-pull%22 hydrazinů: 3-N,N-dimethylhydrazino-2-acetyl propenenitril [(H3C)(2)N-NH-CH= C(CN)(COCH3)] (DMHAP) a 3-N,N-dimethylhydrazino-2-methylsulfonyl propenenitril [(H3C)(2)N-NH-CH=C(CN)(SO2CH3)] (DMHSP) byly experimentálně studovány pomocí NMR a vibrační spektroskopie a teoreticky pomocí ab initio výpočtů na MP2 úrovni s 6-31G** bázovým setem. IR a Ramanova spektra obou sloučenin byla měřena jednak v pevném stavu, jednak pro různá rozpouštědla. NMR spektra byla získána pro roztoky v chloroformu a DMSO při laboratorní teplotě. Obě sloučeniny byly přitom připraveny stejným postupem. NMR spektra odhalila, že DMHAP bylo připraveno jako čistý Z-isomer, zatímco v případě DMHSP se jedná o čistý E-isomer. Vzhledem k nízké bariéře pro obě sloučeniny objevuje se v roztoku prakticky volná isomerisace, ale uplatňuje se pro obě látky v opačném směru. Zatímco DMHAP je v pevném stavu a v méně polárních rozpouštědlech jako Z-isomer, ve více polárních rozpouštědlech lze pozorova (cs)
- The isomers and conformers of two push-pull hydrazines: 3-N,N-dimethylhydrazino-2-acetyl propenenitrile [(H3C)(2)N-NH-CH= C(CN)(COCH3)] (DMHAP) and 3-N,N-dimethylhydrazino-2-methylsulfonyl propenenitrile [(H3C)(2)N-NH-CH=C(CN)(SO2CH3)] (DMHSP) have been studied experimentally by NMR and vibrational spectroscopy and theoretically by the ab initio calculations at MP2 level in 6-31G** basis set. The IR and Raman spectra of both compounds as a solid and solute in various solvents have been recorded. The NMR spectra were obtained in chloroform and DMSO at room temperature. Both compounds have been prepared by the same way. NMR spectra revealed that DMHAP was prepared as a pure Z-isomer whereas in the case of DMHSP a pure E-isomer was obtained. Due to the low barrier for both compounds practically free isomerisation process occurred in the solutions but in opposite directions. Whereas DMHAP exists in the solid state and in the less polar solvent as Z-isomer, in more polar solvents the appearance of next two
- The isomers and conformers of two push-pull hydrazines: 3-N,N-dimethylhydrazino-2-acetyl propenenitrile [(H3C)(2)N-NH-CH= C(CN)(COCH3)] (DMHAP) and 3-N,N-dimethylhydrazino-2-methylsulfonyl propenenitrile [(H3C)(2)N-NH-CH=C(CN)(SO2CH3)] (DMHSP) have been studied experimentally by NMR and vibrational spectroscopy and theoretically by the ab initio calculations at MP2 level in 6-31G** basis set. The IR and Raman spectra of both compounds as a solid and solute in various solvents have been recorded. The NMR spectra were obtained in chloroform and DMSO at room temperature. Both compounds have been prepared by the same way. NMR spectra revealed that DMHAP was prepared as a pure Z-isomer whereas in the case of DMHSP a pure E-isomer was obtained. Due to the low barrier for both compounds practically free isomerisation process occurred in the solutions but in opposite directions. Whereas DMHAP exists in the solid state and in the less polar solvent as Z-isomer, in more polar solvents the appearance of next two (en)
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| Title
| - Isomers and conformers of two push-pull hydrazines studied by NMR and vibrational spectroscopy and by ab initio calculations
- Isomers and conformers of two push-pull hydrazines studied by NMR and vibrational spectroscopy and by ab initio calculations (en)
- Isomery a konformery dvou %22push-pull%22 hydrazinů studované pomocí NMR a vibrační spektroskopie a ab-initio výpočtů (cs)
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| skos:prefLabel
| - Isomers and conformers of two push-pull hydrazines studied by NMR and vibrational spectroscopy and by ab initio calculations
- Isomers and conformers of two push-pull hydrazines studied by NMR and vibrational spectroscopy and by ab initio calculations (en)
- Isomery a konformery dvou %22push-pull%22 hydrazinů studované pomocí NMR a vibrační spektroskopie a ab-initio výpočtů (cs)
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| skos:notation
| - RIV/60461373:22340/07:00019344!RIV08-MSM-22340___
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| http://linked.open.../vavai/riv/strany
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| http://linked.open...avai/riv/aktivita
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| http://linked.open...avai/riv/aktivity
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| http://linked.open...iv/cisloPeriodika
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| http://linked.open...vai/riv/dodaniDat
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| http://linked.open...aciTvurceVysledku
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| http://linked.open.../riv/druhVysledku
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| http://linked.open...iv/duvernostUdaju
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| http://linked.open...titaPredkladatele
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| http://linked.open...dnocenehoVysledku
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| http://linked.open...ai/riv/idVysledku
| - RIV/60461373:22340/07:00019344
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| http://linked.open...riv/jazykVysledku
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| http://linked.open.../riv/klicovaSlova
| - NMR spectra; vibrational spectra; conformational analysis; hydrazines; push-pull compounds; ab initio calculations with solvent effect inclusion (en)
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| http://linked.open.../riv/klicoveSlovo
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| http://linked.open...odStatuVydavatele
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| http://linked.open...ontrolniKodProRIV
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| http://linked.open...i/riv/nazevZdroje
| - Journal of Molecular Structure
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| http://linked.open...in/vavai/riv/obor
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| http://linked.open...ichTvurcuVysledku
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| http://linked.open...cetTvurcuVysledku
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| http://linked.open...UplatneniVysledku
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| http://linked.open...v/svazekPeriodika
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| http://linked.open...iv/tvurceVysledku
| - Matějka, Pavel
- Gatial, A.
- Gróf, M.
- Milata, V.
- Prónayová, N.
- Černuchová, P.
- Polovková, J.
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| issn
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| number of pages
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| http://localhost/t...ganizacniJednotka
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| is http://linked.open...avai/riv/vysledek
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