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

Horáček, Michal; Merna, J.; Gyepes, R.; Sýkora, Jan; Kubišta, Jiří; Pinkas, Jiří

doi:https://dx.doi.org/10.1135/cccc2010133

Number of the records: 1

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

1.

SYSNO ASEP	0358409
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	TITANOCENE AND ansa-TITANOCENE COMPLEXES BEARING 2,6-BIS(ISOPROPYL)PHENOXIDE LIGAND(S). SYNTHESES, CHARACTERIZATION AND USE IN CATALYTIC DEHYDROCOUPLING POLYMERIZATION OF PHENYLSILANE
Author(s)	Horáček, Michal (UFCH-W)_{RID, ORCID} Merna, J. (CZ) Gyepes, R. (CZ) Sýkora, Jan (UCHP-M)_{RID, ORCID, SAI} Kubišta, Jiří (UFCH-W)_{RID, ORCID} Pinkas, Jiří (UFCH-W)_{RID, ORCID}
Source Title	Collection of Czechoslovak Chemical Communications. - : Ústav organické chemie a biochemie AV ČR, v. v. i. - ISSN 0010-0765 Roč. 76, č. 1 (2011), s. 75-94
Number of pages	20 s.
Language	eng - English
Country	CZ - Czech Republic
Keywords	titatium ; metallocenes ; polymerization
Subject RIV	CF - Physical ; Theoretical Chemistry
R&D Projects	GA203/09/1574 GA ČR - Czech Science Foundation (CSF)
	KAN100400701 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
	LC06070 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
CEZ	AV0Z40400503 - UFCH-W (2005-2011)
	AV0Z40720504 - UCHP-M (2005-2011)
UT WOS	000286069600007
DOI	10.1135/cccc2010133
Annotation	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.
Workplace	J. Heyrovsky Institute of Physical Chemistry
Contact	Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196
Year of Publishing	2012

Number of the records: 1