About: Synthesis and Crystal Structure of Decamethyltitanocene Hydroxide

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Plně methylovaný titanocenhydroxid byl připraven reakcí [[Ti(?5-C5Me5){?5:?1-C5Me4(CH2)}] (2) s jedním ekvivalentem vody rozpuštěné v toluenu. Krystalová struktura ukazuje lomenou vazbu Ti-O-H (112(4)?) kde atom kyslíku je pouze o 0,038(4) ? vykloněn z roviny tvořené Cg(1), Ti, Cg(2) (Cg - centroid cyklopentadienylového kruhu). Vazebná délka Ti-O (1,889(2) ?) a energie přechodu 1a1 ? b2 (6770(50) cm) indikuje slabší ?-donační efekt hydroxylové skupiny než v případě alkoxi skupin. (cs) Fully methylated titanocene hydroxide [Ti(OH)(?5-C5Me5)2] (1) was obtained by the reaction of single tucked-in decamethyltitanocene [[Ti(?5-C5Me5){?5:?1-C5Me4(CH2)}] (2) with one equivalent of water dissolved in toluene. The X-ray single crystal diffraction of 1 revealed the bent Ti-O-H bonds (112(4)?) where the oxygen atom is only 0.038(4) ? away from the Cg(1),Ti,Cg(2) (Cg - centroid of the cyclopentadienyl ring) plane, and the hydroxyl bond is directed to the cyclopentadienyl ring C(1-5). The Ti-O bond length (1.889(2) ?) and energy of 1a1 ? b2 transition (6770(50) cm-1) indicate that the ?-donation effect of the hydroxyl group is weaker compared to alkoxy groups. Fully methylated titanocene hydroxide [Ti(OH)(?5-C5Me5)2] (1) was obtained by the reaction of single tucked-in decamethyltitanocene [[Ti(?5-C5Me5){?5:?1-C5Me4(CH2)}] (2) with one equivalent of water dissolved in toluene. The X-ray single crystal diffraction of 1 revealed the bent Ti-O-H bonds (112(4)?) where the oxygen atom is only 0.038(4) ? away from the Cg(1),Ti,Cg(2) (Cg - centroid of the cyclopentadienyl ring) plane, and the hydroxyl bond is directed to the cyclopentadienyl ring C(1-5). The Ti-O bond length (1.889(2) ?) and energy of 1a1 ? b2 transition (6770(50) cm-1) indicate that the ?-donation effect of the hydroxyl group is weaker compared to alkoxy groups. (en)
Title	Synthesis and Crystal Structure of Decamethyltitanocene Hydroxide Synthesis and Crystal Structure of Decamethyltitanocene Hydroxide (en) Syntéza a krystalová struktura dekamethyltitanocenhydroxidu (cs)
skos:prefLabel	Synthesis and Crystal Structure of Decamethyltitanocene Hydroxide Synthesis and Crystal Structure of Decamethyltitanocene Hydroxide (en) Syntéza a krystalová struktura dekamethyltitanocenhydroxidu (cs)
skos:notation	RIV/61388955:_____/04:00107625!RIV/2005/AV0/A54005/N
http://linked.open.../vavai/riv/strany	155;159
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/02/0436), P(GA203/02/0774), P(GA203/99/M037), Z(AV0Z4040901)
http://linked.open...iv/cisloPeriodika	2
http://linked.open...vai/riv/dodaniDat	2005
http://linked.open...aciTvurceVysledku	Horáček, Michal Mach, Karel Kubišta, 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	589324
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/04:00107625
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	titanium; titanocene; crystal structure (en)
http://linked.open.../riv/klicoveSlovo	crystal structure titanium titanocene
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[C4ADCE8B910D]
http://linked.open...i/riv/nazevZdroje	Inorganic Chemistry Communications
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	Application of Crystallographic Databases in Scientific Practice Centre of molecular and crystal structures Silicon-based ansa-titanocene complexes - synthesis, properties and catalytic activities
http://linked.open...UplatneniVysledku	2004
http://linked.open...v/svazekPeriodika	7
http://linked.open...iv/tvurceVysledku	Mach, Karel Gyepes, R. Horáček, Michal Kubišta, Jiří
http://linked.open...n/vavai/riv/zamer	Objasňování zákonitostí vztahů struktury a vlastností - zejména dynamiky a chemické reaktivity - látek a molekulárních systémů
issn	1387-7003
number of pages	5 (xsd:int)

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