Počet záznamů: 1
Effects of substituents in cyclopentadienyltitanium trichlorides on electronic absorption and Ti-47,Ti-49 NMR spectra and styrene polymerization activated by methylalumoxane
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SYSNO ASEP 0305707 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Ostatní články Název Effects of substituents in cyclopentadienyltitanium trichlorides on electronic absorption and Ti-47,Ti-49 NMR spectra and styrene polymerization activated by methylalumoxane Překlad názvu Efekt substituce cyklopentadienyltitan trichloridových komplexů na elektronovou absorpci, 47,49Ti NMR spektra a polymerizaci styrenu aktivovanou methylalumoxanem Tvůrce(i) Pinkas, Jiří (UFCH-W) RID, ORCID
Lyčka, A. (CZ)
Šindelář, P. (CZ)
Gyepes, R. (CZ)
Varga, V. (CZ)
Kubišta, Jiří (UFCH-W) RID, ORCID
Horáček, Michal (UFCH-W) RID, ORCID
Mach, Karel (UFCH-W) ORCID, RIDZdroj.dok. Journal of Molecular Catalysis A-Chemical. - : Elsevier - ISSN 1381-1169
Roč. 257, 1-2 (2006), s. 14-25Poč.str. 12 s. Jazyk dok. eng - angličtina Země vyd. NL - Nizozemsko Klíč. slova titanium ; half-sandwich titanocenes ; substituent effects ; electronic absorption spectra Vědní obor RIV CF - Fyzikální chemie a teoretická chemie CEP FT-TA3/078 GA MPO - Ministerstvo průmyslu a obchodu CEZ AV0Z40400503 - UFCH-W (2005-2011) DOI https://doi.org/10.1016/j.molcata.2006.05.016 Anotace In the series of the methylated compounds (eta(5)-C5H5-nMen)TiCl3 (n=0-5) 1-6, linear correlations of lambda(max) of the absorption band and 3 Ti-49,Ti-47 chemical shift with the number of Me groups were found. It is due to the dependence of both the magnitudes on the HOMO-LUMO energy gap which is influenced by electron donating methyl substituents. The catalysts made by combining 1-6 with MAO (molar ratio Al/Ti 500) showed only a gross dependence of decreasing activity with the number of methyl groups. For compounds (eta(5)-C5Me4R)TiCl3 7-14 and (eta(5)-C5H(1,2,3-)Me3R)TiCl3 15-20 where R = alkyl, silyl or phenyl no correlation between lambda(max) and delta was found. Limited DFT calculations were performed to assign HOMO/LUMO orbitals involved. Crystal structures of 16 and 20 were determined and some other inspected to prove the absence of steric hindrance. Pracoviště Ústav fyzikální chemie J.Heyrovského Kontakt Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Rok sběru 2008
Počet záznamů: 1