About: TITANOCENE AND ansa-TITANOCENE COMPLEXES BEARING 2,6-BIS(ISOPROPYL)PHENOXIDE LIGAND(S). SYNTHESES, CHARACTERIZATION AND USE IN CATALYTIC DEHYDROCOUPLING POLYMERIZATION OF PHENYLSILANE

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About: TITANOCENE AND ansa-TITANOCENE COMPLEXES BEARING 2,6-BIS(ISOPROPYL)PHENOXIDE LIGAND(S). SYNTHESES, CHARACTERIZATION AND USE IN CATALYTIC DEHYDROCOUPLING POLYMERIZATION OF PHENYLSILANE Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Aryloxychloro and bis(aryloxy) titanocenes of general formula L2TiCl2-x(OAr')(x) where L = eta(5)-C5H5 (x = 1 (1) and 2 (2)), L-2 = SiMe2(eta(5)-C5H4)(2) (x = 1 (3) and 2 (4)), and Ar' = 2,6-(CHMe2)(2)C6H3 were prepared by the reaction of corresponding titanocene dichloride with LiOAr' and characterized by spectroscopic methods and compound 3 by single crystal X-ray diffraction analysis. The bulky aryloxy ligand in 1 and 3 exerts a hindered rotation around the Ti-O bond on the H-1 NMR time scale, resulting in its dynamic behavior in CDCl3 solution. Variable temperature NMR measurements proved the rotation barrier in 3 (Delta G(298)(double dagger) = 13.9 +/- 0.3 kcal/mol) to be lower than that in 1 (Delta G(298)(double dagger) = 14.7 +/- 0.2 kcal/mol) as a consequence of the more open titanocene shell in the ansa-structure of 3. Aryloxychloro and bis(aryloxy) titanocenes of general formula L2TiCl2-x(OAr')(x) where L = eta(5)-C5H5 (x = 1 (1) and 2 (2)), L-2 = SiMe2(eta(5)-C5H4)(2) (x = 1 (3) and 2 (4)), and Ar' = 2,6-(CHMe2)(2)C6H3 were prepared by the reaction of corresponding titanocene dichloride with LiOAr' and characterized by spectroscopic methods and compound 3 by single crystal X-ray diffraction analysis. The bulky aryloxy ligand in 1 and 3 exerts a hindered rotation around the Ti-O bond on the H-1 NMR time scale, resulting in its dynamic behavior in CDCl3 solution. Variable temperature NMR measurements proved the rotation barrier in 3 (Delta G(298)(double dagger) = 13.9 +/- 0.3 kcal/mol) to be lower than that in 1 (Delta G(298)(double dagger) = 14.7 +/- 0.2 kcal/mol) as a consequence of the more open titanocene shell in the ansa-structure of 3. (en)
Title	TITANOCENE AND ansa-TITANOCENE COMPLEXES BEARING 2,6-BIS(ISOPROPYL)PHENOXIDE LIGAND(S). SYNTHESES, CHARACTERIZATION AND USE IN CATALYTIC DEHYDROCOUPLING POLYMERIZATION OF PHENYLSILANE TITANOCENE AND ansa-TITANOCENE COMPLEXES BEARING 2,6-BIS(ISOPROPYL)PHENOXIDE LIGAND(S). SYNTHESES, CHARACTERIZATION AND USE IN CATALYTIC DEHYDROCOUPLING POLYMERIZATION OF PHENYLSILANE (en)
skos:prefLabel	TITANOCENE AND ansa-TITANOCENE COMPLEXES BEARING 2,6-BIS(ISOPROPYL)PHENOXIDE LIGAND(S). SYNTHESES, CHARACTERIZATION AND USE IN CATALYTIC DEHYDROCOUPLING POLYMERIZATION OF PHENYLSILANE TITANOCENE AND ansa-TITANOCENE COMPLEXES BEARING 2,6-BIS(ISOPROPYL)PHENOXIDE LIGAND(S). SYNTHESES, CHARACTERIZATION AND USE IN CATALYTIC DEHYDROCOUPLING POLYMERIZATION OF PHENYLSILANE (en)
skos:notation	RIV/61388955:_____/11:00358409!RIV12-GA0-61388955
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/09/1574), P(KAN100400701), P(LC06070), Z(AV0Z40400503), Z(AV0Z40720504), Z(MSM0021620857), Z(MSM6046137302)
http://linked.open...iv/cisloPeriodika	1
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Horáček, Michal Kubišta, Jiří Pinkas, Jiří
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	Ústav fyzikální chemie J. Heyrovského AV ČR, v.v.i.
http://linked.open...dnocenehoVysledku	235432
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/11:00358409
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	titatium; metallocenes; polymerization (en)
http://linked.open.../riv/klicoveSlovo	metallocenes titatium polymerization
http://linked.open...odStatuVydavatele	CZ - Česká republika
http://linked.open...ontrolniKodProRIV	[994F3621FCF9]
http://linked.open...i/riv/nazevZdroje	Collection of Czechoslovak Chemical Communications
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	6 (xsd:int)
http://linked.open...vavai/riv/projekt	Hybride nanocomposite materials Dehydrocoupling reactions catalyzed by titanium complexes The structure and synthetic applications of transition metal complexes
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	76
http://linked.open...iv/tvurceVysledku	Pinkas, Jiří Sýkora, Jan Gyepes, R. Horáček, Michal Kubišta, Jiří Merna, J.
http://linked.open...ain/vavai/riv/wos	000286069600007
http://linked.open...n/vavai/riv/zamer	Struktura, reaktivita a dynamika molekulárních a biomolekulárních systémů: teorie, experiment, aplikace Investigation of multiphase reacting systems for the design of processes important in synthesis and preparation of novel materials, in energy production and in environmental protection Nové molekulární systémy pro pokročilé aplikace prospěšné pro zdraví a šetrné k životnímu prostředí Preparation and research of functional materials and material technologies using micro- and nanoscopic methods
issn	0010-0765
number of pages	20 (xsd:int)
http://bibframe.org/vocab/doi	10.1135/cccc2010133

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