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Statements

Subject Item
n2:RIV%2F00216208%3A11310%2F13%3A10134297%21RIV14-GA0-11310___
rdf:type
skos:Concept n13:Vysledek
rdfs:seeAlso
http://dx.doi.org/10.1002/cssc.201300173
dcterms:description
The high activity and selectivity of zeolites in the cyclisation of unsaturated alcohols is reported for the first time; the details of a reaction mechanism based on quantum chemical calculations are also provided. The high efficiency of zeolites MFI, BEA and FAU in the cyclisation of unsaturated alcohols (cis-decen-1- ol, 6-methylhept-5-en-2-ol and 2-allylphenol) to afford oxygencontaining heterocyclic rings is demonstrated. The best catalytic performance is found for zeolites with the optimum concentration of Bronsted acid sites (ca. 0.2 mmolg 1) and the minimum number of Lewis acid sites. It is proposed that the efficiency of the catalysts is reduced by the existence of the socalled dual site, at which a molecule of unsaturated alcohol can simultaneously interact with two acid sites (an OH group with one and the double bond with the other Bronsted site), which increases the interaction strength. The formation of such adsorption complexes leads to a decrease in the catalyst activity because of (i) an increase in the reaction barrier, (ii) an unfavourable conformation and (iii) diffusion limitations. A new procedure for the preparation of tetrahydrofurans and pyrans over zeolite catalysts provides important oxygen-containing heterocycles with numerous applications. The high activity and selectivity of zeolites in the cyclisation of unsaturated alcohols is reported for the first time; the details of a reaction mechanism based on quantum chemical calculations are also provided. The high efficiency of zeolites MFI, BEA and FAU in the cyclisation of unsaturated alcohols (cis-decen-1- ol, 6-methylhept-5-en-2-ol and 2-allylphenol) to afford oxygencontaining heterocyclic rings is demonstrated. The best catalytic performance is found for zeolites with the optimum concentration of Bronsted acid sites (ca. 0.2 mmolg 1) and the minimum number of Lewis acid sites. It is proposed that the efficiency of the catalysts is reduced by the existence of the socalled dual site, at which a molecule of unsaturated alcohol can simultaneously interact with two acid sites (an OH group with one and the double bond with the other Bronsted site), which increases the interaction strength. The formation of such adsorption complexes leads to a decrease in the catalyst activity because of (i) an increase in the reaction barrier, (ii) an unfavourable conformation and (iii) diffusion limitations. A new procedure for the preparation of tetrahydrofurans and pyrans over zeolite catalysts provides important oxygen-containing heterocycles with numerous applications.
dcterms:title
Intramolecular Hydroalkoxylation of Non-Activated C=C Bonds Catalysed by Zeolites: An Experimental and Theoretical Study Intramolecular Hydroalkoxylation of Non-Activated C=C Bonds Catalysed by Zeolites: An Experimental and Theoretical Study
skos:prefLabel
Intramolecular Hydroalkoxylation of Non-Activated C=C Bonds Catalysed by Zeolites: An Experimental and Theoretical Study Intramolecular Hydroalkoxylation of Non-Activated C=C Bonds Catalysed by Zeolites: An Experimental and Theoretical Study
skos:notation
RIV/00216208:11310/13:10134297!RIV14-GA0-11310___
n13:predkladatel
n14:orjk%3A11310
n3:aktivita
n6:I n6:P
n3:aktivity
I, P(GBP106/12/G015)
n3:cisloPeriodika
6
n3:dodaniDat
n5:2014
n3:domaciTvurceVysledku
n10:1747681 n10:6218040
n3:druhVysledku
n12:J
n3:duvernostUdaju
n21:S
n3:entitaPredkladatele
n18:predkladatel
n3:idSjednocenehoVysledku
80948
n3:idVysledku
RIV/00216208:11310/13:10134297
n3:jazykVysledku
n15:eng
n3:klicovaSlova
heterogeneous catalysis; density functional calculations; cyclization
n3:klicoveSlovo
n16:density%20functional%20calculations n16:cyclization n16:heterogeneous%20catalysis
n3:kodStatuVydavatele
DE - Spolková republika Německo
n3:kontrolniKodProRIV
[74F61DC301EE]
n3:nazevZdroje
ChemSusChem
n3:obor
n19:CF
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
7
n3:projekt
n9:GBP106%2F12%2FG015
n3:rokUplatneniVysledku
n5:2013
n3:svazekPeriodika
6
n3:tvurceVysledku
Pérez-Mayoral, Elena Fonseca, Isabel Položij, Miroslav Nachtigall, Petr Matos, Ines Čejka, Jiří Vitvarová-Procházková, Dana
n3:wos
000319828000012
s:issn
1864-5631
s:numberOfPages
10
n20:doi
10.1002/cssc.201300173
n11:organizacniJednotka
11310