About: Synthesis and Structure of Titanium(III) Bis(decamethyltitanocene) Oxide

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About: Synthesis and Structure of Titanium(III) Bis(decamethyltitanocene) Oxide Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
rdfs:seeAlso	http://dx.doi.org/10.1021/om400624y
Description	Bis(decamethyltitanocene) oxide, [(Cp-2Ti)(2)O] (1; Cp = eta(5)-C5Me5) has been obtained as a yellow crystalline solid after reacting equimolar amounts of the hydride [Cp-2TiH] and the hydroxide [Cp-2Ti(OH)]. The solid-state structure of I revealed a linear Ti-O-Ti arrangement and a mutual, nearly perpendicular orientation of the bent-sandwich titanocene moieties; the length of both Ti-O bonds amounted to 1.9080(3) angstrom. A unique structural feature was a close-to-eclipsed conformation of the cyclopentadienyl ligands, attributed to the high steric congestion of 1. The molecule in toluene glass exhibited a triplet state EPR spectrum of rhombic symmetry, having zero field splitting D = 0.02159 cm(-1) and E = 0.00230 cm(-1). The H-1 NMR spectrum of I in toluene-d(8) displays a paramagnetic resonance at delta 4.3 ppm (Delta nu(1/2) approximate to 270 Hz). Compound 1 reacts with 1 molar equiv of water to give [Cp-2Ti(OH)]. In CD2Cl2, 1 is oxidized to yield the major product [(CpTiCl2)(2)O] and minor product [{CpTi(Cl)O}(3)]. Bis(decamethyltitanocene) oxide, [(Cp-2Ti)(2)O] (1; Cp* = eta(5)-C5Me5) has been obtained as a yellow crystalline solid after reacting equimolar amounts of the hydride [Cp-2TiH] and the hydroxide [Cp-2Ti(OH)]. The solid-state structure of I revealed a linear Ti-O-Ti arrangement and a mutual, nearly perpendicular orientation of the bent-sandwich titanocene moieties; the length of both Ti-O bonds amounted to 1.9080(3) angstrom. A unique structural feature was a close-to-eclipsed conformation of the cyclopentadienyl ligands, attributed to the high steric congestion of 1. The molecule in toluene glass exhibited a triplet state EPR spectrum of rhombic symmetry, having zero field splitting D = 0.02159 cm(-1) and E = 0.00230 cm(-1). The H-1 NMR spectrum of I in toluene-d(8) displays a paramagnetic resonance at delta 4.3 ppm (Delta nu(1/2) approximate to 270 Hz). Compound 1 reacts with 1 molar equiv of water to give [Cp-2Ti(OH)]. In CD2Cl2, 1 is oxidized to yield the major product [(CpTiCl2)(2)O] and minor product [{Cp*Ti(Cl)O}(3)]. (en)
Title	Synthesis and Structure of Titanium(III) Bis(decamethyltitanocene) Oxide Synthesis and Structure of Titanium(III) Bis(decamethyltitanocene) Oxide (en)
skos:prefLabel	Synthesis and Structure of Titanium(III) Bis(decamethyltitanocene) Oxide Synthesis and Structure of Titanium(III) Bis(decamethyltitanocene) Oxide (en)
skos:notation	RIV/00216208:11310/13:10189992!RIV14-MSM-11310___
http://linked.open...avai/riv/aktivita	I P Z
http://linked.open...avai/riv/aktivity	I, P(GAP207/12/2368), P(GP203/09/P276), Z(MSM0021620857)
http://linked.open...iv/cisloPeriodika	21
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Císařová, Ivana
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	109490
http://linked.open...ai/riv/idVysledku	RIV/00216208:11310/13:10189992
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	carbon-dioxide; methylene groups; internal alkynes; permethyltitanocene derivatives; crystal-structure; exchange interactions; molecular-structure; X-ray structure; dicarboxylic-acid dianions; binuclear dicyclopentadienyltitanium(III) complexes (en)
http://linked.open.../riv/klicoveSlovo	exchange interactions carbon-dioxide binuclear dicyclopentadienyltitanium(III) complexes dicarboxylic-acid dianions internal alkynes methylene groups permethyltitanocene derivatives X-ray structure crystal-structure molecular-structure
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[6013F00251EB]
http://linked.open...i/riv/nazevZdroje	Organometallics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	6 (xsd:int)
http://linked.open...vavai/riv/projekt	NQR spectroscopy of explosives and titanocene complexes Group 4 metallocenes: activation of ligands for synthetic and catalytic applications
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	32
http://linked.open...iv/tvurceVysledku	Císařová, Ivana Mach, Karel Pinkas, Jiří Horáček, Michal Kubišta, Jiří Gyepes, Robert
http://linked.open...ain/vavai/riv/wos	000326955700024
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	9 (xsd:int)
http://bibframe.org/vocab/doi	10.1021/om400624y
http://localhost/t...ganizacniJednotka	11310

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