About: Interaction of the Gold(I) Cation Au(PMe3)(+) with Unsaturated Hydrocarbons

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
rdfs:seeAlso	http://dx.doi.org/10.1021/om2012387
Description	The binding energies of unsaturated hydrocarbons (benzene, styrene, 1-pentene, 1-pentyne, 2-pentyne, phenylacetylene, cyclooctene, 1,5-cyclooctadiene, 1,3-cyclooctadiene) with the (trimethylphosphino)gold cation have been investigated by means of mass spectrometry and density functional theory. It is shown that the interactions of the gold(I) cation with C C triple bonds are stronger than those with C C double bonds or with an aromatic ring. Further, the gold cation preferentially interacts with the isolated C C double bonds in 1,5-cyclooctadiene and cyclooctene in comparison to the conjugated double bonds in 1,3-cyclooctadiene. In contrast to these results, the binding energies of Au(PMe3)(+) to the simplest unsaturated hydrocarbons increase in the order acetylene < ethylene < butadiene. The effect of the alkyl and aryl substitution and the consequence of these results for the gold-catalyzed reactions of unsaturated hydrocarbons are discussed. The binding energies of unsaturated hydrocarbons (benzene, styrene, 1-pentene, 1-pentyne, 2-pentyne, phenylacetylene, cyclooctene, 1,5-cyclooctadiene, 1,3-cyclooctadiene) with the (trimethylphosphino)gold cation have been investigated by means of mass spectrometry and density functional theory. It is shown that the interactions of the gold(I) cation with C C triple bonds are stronger than those with C C double bonds or with an aromatic ring. Further, the gold cation preferentially interacts with the isolated C C double bonds in 1,5-cyclooctadiene and cyclooctene in comparison to the conjugated double bonds in 1,3-cyclooctadiene. In contrast to these results, the binding energies of Au(PMe3)(+) to the simplest unsaturated hydrocarbons increase in the order acetylene < ethylene < butadiene. The effect of the alkyl and aryl substitution and the consequence of these results for the gold-catalyzed reactions of unsaturated hydrocarbons are discussed. (en)
Title	Interaction of the Gold(I) Cation Au(PMe3)(+) with Unsaturated Hydrocarbons Interaction of the Gold(I) Cation Au(PMe3)(+) with Unsaturated Hydrocarbons (en)
skos:prefLabel	Interaction of the Gold(I) Cation Au(PMe3)(+) with Unsaturated Hydrocarbons Interaction of the Gold(I) Cation Au(PMe3)(+) with Unsaturated Hydrocarbons (en)
skos:notation	RIV/00216208:11310/12:10128765!RIV13-GA0-11310___
http://linked.open...avai/predkladatel	Přírodovědecká fakulta
http://linked.open...avai/riv/aktivita	I P Z
http://linked.open...avai/riv/aktivity	I, P(GAP207/11/0338), Z(MSM0021620857)
http://linked.open...iv/cisloPeriodika	5
http://linked.open...vai/riv/dodaniDat	2013
http://linked.open...aciTvurceVysledku	Roithová, Jana Jašíková, Lucie
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	Univerzita Karlova v Praze / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	142278
http://linked.open...ai/riv/idVysledku	RIV/00216208:11310/12:10128765
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	proton-transfer; carbene complex; crystal-structure; mass-spectrometry; density functionals; mechanistic insights; one-pot; gas-phase; catalytic co oxidation; generalized gradient approximation (en)
http://linked.open.../riv/klicoveSlovo	generalized gradient approximation density functionals carbene complex catalytic co oxidation mechanistic insights proton-transfer crystal-structure gas-phase mass-spectrometry one-pot
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[6F258EFBFF41]
http://linked.open...i/riv/nazevZdroje	Organometallics
http://linked.open...in/vavai/riv/obor	CC
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...vavai/riv/projekt	Reaction mechanisms in organometallic chemistry
http://linked.open...UplatneniVysledku	2012
http://linked.open...v/svazekPeriodika	31
http://linked.open...iv/tvurceVysledku	Roithová, Jana Jašíková, Lucie
http://linked.open...ain/vavai/riv/wos	000301331200042
http://linked.open...n/vavai/riv/zamer	Nové molekulární systémy pro pokročilé aplikace prospěšné pro zdraví a šetrné k životnímu prostředí
issn	0276-7333
number of pages	8 (xsd:int)
http://bibframe.org/vocab/doi	10.1021/om2012387
http://localhost/t...ganizacniJednotka	11310
is http://linked.open...avai/riv/vysledek of	Interaction of the Gold(I) Cation Au(PMe3)(+) with Unsaturated Hydrocarbons

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