About: The conformational behaviour of thiacalix[4]arenes: the pinched cone/pinched cone transition

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About: The conformational behaviour of thiacalix[4]arenes: the pinched cone/pinched cone transition Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	This work is focused on the dynamics and thermodynamics of the pinched cone-pinched cone interconversion of calix[4]arenes. The behaviour of methylene bridged non-substituted tetraalkoxycalix[4]arene and its tetraalkoxythiacalix[4]arene analogue is compared. Energetic and structural changes during this interconversion have been closely studied by HF and DFT quantum chemistry methods in combination with temperature -dependent 1 H NMR spectroscopy. The most important stationary points-minima and transition states on the potential energy surface have been identified and their symmetry and other structural properties have been determined. This work is focused on the dynamics and thermodynamics of the pinched cone-pinched cone interconversion of calix[4]arenes. The behaviour of methylene bridged non-substituted tetraalkoxycalix[4]arene and its tetraalkoxythiacalix[4]arene analogue is compared. Energetic and structural changes during this interconversion have been closely studied by HF and DFT quantum chemistry methods in combination with temperature -dependent 1 H NMR spectroscopy. The most important stationary points-minima and transition states on the potential energy surface have been identified and their symmetry and other structural properties have been determined. (en) This work is focused on the dynamics and thermodynamics of the pinched cone-pinched cone interconversion of calix[4]arenes. The behaviour of methylene bridged non-substituted tetraalkoxycalix[4]arene and its tetraalkoxythiacalix[4]arene analogue is compared. Energetic and structural changes during this interconversion have been closely studied by HF and DFT quantum chemistry methods in combination with temperature -dependent 1 H NMR spectroscopy. The most important stationary points-minima and transition states on the potential energy surface have been identified and their symmetry and other structural properties have been determined. (cs)
Title	The conformational behaviour of thiacalix[4]arenes: the pinched cone/pinched cone transition The conformational behaviour of thiacalix[4]arenes: the pinched cone/pinched cone transition (en) The conformational behaviour of thiacalix[4]arenes: the pinched cone/pinched cone transition (cs)
skos:prefLabel	The conformational behaviour of thiacalix[4]arenes: the pinched cone/pinched cone transition The conformational behaviour of thiacalix[4]arenes: the pinched cone/pinched cone transition (en) The conformational behaviour of thiacalix[4]arenes: the pinched cone/pinched cone transition (cs)
skos:notation	RIV/00216224:14310/02:00006564!RIV08-MSM-14310___
http://linked.open.../vavai/riv/strany	1922
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(MSM 113200001), Z(MSM 143100005)
http://linked.open...iv/cisloPeriodika	1
http://linked.open...vai/riv/dodaniDat	2008
http://linked.open...aciTvurceVysledku	Koča, Jaroslav Čajan, Michal
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	Masarykova univerzita / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	641587
http://linked.open...ai/riv/idVysledku	RIV/00216224:14310/02:00006564
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	calix[4]arene; conformation; transition; DFT (en)
http://linked.open.../riv/klicoveSlovo	conformation calix[4]arene DFT transition
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[2FE2FE649F8A]
http://linked.open...i/riv/nazevZdroje	Journal of the chemical society. Perkin transactions II, Physical organic chemistry
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	6 (xsd:int)
http://linked.open...UplatneniVysledku	2002
http://linked.open...v/svazekPeriodika	100
http://linked.open...iv/tvurceVysledku	Koča, Jaroslav Dvořáková, Hana Lang, Jan Čajan, Michal Lhoták, Pavel Stibor, Ivan
http://linked.open...n/vavai/riv/zamer	http://linked.opendata.cz/resource/domain/vavai/zamer/MSM%20113200001 http://linked.opendata.cz/resource/domain/vavai/zamer/MSM%20143100005
issn	1472-779X
number of pages	8 (xsd:int)
http://localhost/t...ganizacniJednotka	14310

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