Ethene Complexes of Bulky Titanocenes, Their Thermolysis, and Their Reactivity toward 2-Butyne

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F12%3A10127542" target="_blank" >RIV/00216208:11310/12:10127542 - isvavai.cz</a>
Alternative codes found
RIV/61388955:_____/12:00383850
Result on the web
<a href="http://dx.doi.org/10.1021/om300461k" target="_blank" >http://dx.doi.org/10.1021/om300461k</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/om300461k" target="_blank" >10.1021/om300461k</a>

Result language
angličtina
Original language name
Ethene Complexes of Bulky Titanocenes, Their Thermolysis, and Their Reactivity toward 2-Butyne
Original language description
Ethene complexes of titanocenes [Ti(II)(eta(2)-C2H4)(Cp')(2)] for Cp' = eta(5)-C5Me5 (1), eta(5)-C(5)Me(4)t-Bu (2), eta 5-C5Me4SiMe3 (3), and eta(5)-C5HMe4 (4) were prepared by reduction of corresponding titanocene dichlorides with magnesium in THF in the presence of ethene. Thermolysis of 1-3 in toluene solution at a maximum of 100 degrees C resulted in elimination of ethane, affording cleanly doubly tucked-in titanocene compounds 5-7, respectively. Experiments with 2 and 3 in NMR tubes proved that symmetrical isomers 6a and 7a were formed first, and these thermally isomerized to thermodynamically more stable asymmetrical isomers 6b and 7b. The energy difference between 7a and 7b calculated by DFT methods was 15.3 kJ/mol. Thermolysis of 4 in m-xylenerequired a temperature of 135 degrees C, affording a mixture of 8b > 8a and "dimeric dehydro-titanocene" 9 as a concurrent product of hydrogen abstraction. In contrast to thermolysis in solvents, heating of 1 and 2 in high vacuum to 135 d
Czech name
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Czech description
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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)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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