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| Description
| - Eight meso-aryl calixphyrin derivs. were synthesized and their conformational equil. and transitions studied with temp.-dependent NMR spectroscopy. On the basis of d. functional computations, several conformer species could be identified and obsd. changes in chem. shifts explained. In some compds., the aryl group rotation and porphyrin ring flipping could be monitored independently, as their NMR coalescence temps. were well-sepd. Calcd. relative conformer energies, transition barriers, and isotropic shieldings agree well with the exptl. data. In the meso-substituted porphyrins (calixphyrins) the sp3 carbon atoms perturb their p-electron system and significantly modify the mol. shape and the flexibility. Even when the conjugation of the p-electron system was destroyed by the nonplanarity, far-range electronic induction effects still exist and influence chem. shielding and mol. geometry. The aryl functional groups moderately modify the structure of the calixphyrin ring and thus can be used for fin
- Eight meso-aryl calixphyrin derivs. were synthesized and their conformational equil. and transitions studied with temp.-dependent NMR spectroscopy. On the basis of d. functional computations, several conformer species could be identified and obsd. changes in chem. shifts explained. In some compds., the aryl group rotation and porphyrin ring flipping could be monitored independently, as their NMR coalescence temps. were well-sepd. Calcd. relative conformer energies, transition barriers, and isotropic shieldings agree well with the exptl. data. In the meso-substituted porphyrins (calixphyrins) the sp3 carbon atoms perturb their p-electron system and significantly modify the mol. shape and the flexibility. Even when the conjugation of the p-electron system was destroyed by the nonplanarity, far-range electronic induction effects still exist and influence chem. shielding and mol. geometry. The aryl functional groups moderately modify the structure of the calixphyrin ring and thus can be used for fin (en)
- Bylo syntetizováno osm aryl calixphyrin derivátů a byla studována jejich konformační rovnováha teplotně závislou NMR spektroskopií. Na základě d. funkčních výpočtů bylo identifikováno několik konformerů a byly vysvětleny změny v chem. posunu. Arylové funkční skupiny mírně modifikují strukturu kalixphyrin kruhu a tak můžou být použity pro studium chemických vlastností sloučenin (cs)
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| Title
| - Conformational Transitions of Calixphyrin Derivatives Monitored by Temperature-Dependent NMR Spectroscopy. Ab Initio Interpretation of the Spectra
- Konformační změny kalixphyrinových derivátů monitorované teplotně zavislou NMR spektroskopií. Ab inicio intepretace spekter (cs)
- Conformational Transitions of Calixphyrin Derivatives Monitored by Temperature-Dependent NMR Spectroscopy. Ab Initio Interpretation of the Spectra (en)
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| skos:prefLabel
| - Conformational Transitions of Calixphyrin Derivatives Monitored by Temperature-Dependent NMR Spectroscopy. Ab Initio Interpretation of the Spectra
- Konformační změny kalixphyrinových derivátů monitorované teplotně zavislou NMR spektroskopií. Ab inicio intepretace spekter (cs)
- Conformational Transitions of Calixphyrin Derivatives Monitored by Temperature-Dependent NMR Spectroscopy. Ab Initio Interpretation of the Spectra (en)
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| skos:notation
| - RIV/60461373:22340/05:00014723!RIV06-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
| - Z(AV0Z40550506), Z(MSM6046137307)
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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
| |
| http://linked.open...iv/duvernostUdaju
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| http://linked.open...titaPredkladatele
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| http://linked.open...dnocenehoVysledku
| |
| http://linked.open...ai/riv/idVysledku
| - RIV/60461373:22340/05:00014723
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| http://linked.open...riv/jazykVysledku
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| http://linked.open.../riv/klicovaSlova
| - Aryl-calixphyrin; NMR; porphyrin; transition study (en)
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| http://linked.open.../riv/klicoveSlovo
| |
| http://linked.open...odStatuVydavatele
| - US - Spojené státy americké
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| http://linked.open...ontrolniKodProRIV
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| http://linked.open...i/riv/nazevZdroje
| - Journal of Physical Chemistry A
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| http://linked.open...in/vavai/riv/obor
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| http://linked.open...ichTvurcuVysledku
| |
| http://linked.open...cetTvurcuVysledku
| |
| http://linked.open...UplatneniVysledku
| |
| http://linked.open...v/svazekPeriodika
| |
| http://linked.open...iv/tvurceVysledku
| - Král, Vladimír
- Dvořáková, Hana
- Bour, Petr
- Bernátková, Markéta
- Andrioletti, B.
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| http://linked.open...n/vavai/riv/zamer
| |
| issn
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| number of pages
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| http://localhost/t...ganizacniJednotka
| |
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