Synthesis and Crystal Structure of Decamethyltitanocene Hydroxide

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F04%3A00107625" target="_blank" >RIV/61388955:_____/04:00107625 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Synthesis and Crystal Structure of Decamethyltitanocene Hydroxide
Original language description
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.
Czech name
Syntéza a krystalová struktura dekamethyltitanocenhydroxidu
Czech 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.

Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2004
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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