Sterically Less-Hindered Half-Titanocene(IV) Phenoxides: Ancillary-Ligand Effect on Mono-, Bis-, and Tris(2-Alkyl-/arylphenoxy) Titanium(IV) Chloride Complexes
DC Field | Value | Language |
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dc.contributor.author | Kim, Tae-Jin | - |
dc.contributor.author | Kim, Sung-Kwan | - |
dc.contributor.author | Kim, Beom-Jun | - |
dc.contributor.author | Son, Ho-Jin | - |
dc.contributor.author | Hahn, Jong Sok | - |
dc.contributor.author | Cheong, Minserk | - |
dc.contributor.author | Mitoraj, Mariusz | - |
dc.contributor.author | Srebro, Monika | - |
dc.contributor.author | Piekos, Lukasz | - |
dc.contributor.author | Michalak, Artur | - |
dc.contributor.author | Kang, Sang Ook | - |
dc.date.accessioned | 2021-09-08T10:03:54Z | - |
dc.date.available | 2021-09-08T10:03:54Z | - |
dc.date.created | 2021-06-11 | - |
dc.date.issued | 2010 | - |
dc.identifier.issn | 0947-6539 | - |
dc.identifier.uri | https://scholar.korea.ac.kr/handle/2021.sw.korea/118571 | - |
dc.description.abstract | A series of mono-, his-, and tris(phenoxy)-titanium(IV) chlorides of the type [Cp*Ti(2-R-PhO)(n)Cl(3-n) (n=1-3; Cp*=pentamethylcyclopentadienyl) was prepared, in which R=Me, iPr, tBu, and Ph. The formation of each mono-, bis-, and tris(2-alkyl-/aryl-phenoxy) series was authenticated by structural studies on representative examples of the phenyl series including [Cp*Ti(2-Ph-PhO)Cl(2)] (1PhCl2), [Cp*Ti(2-Ph-PhO)(2)Cl] (2PhCl), and [Cp*Ti(2-Ph-PhO)(3)] (3 Ph). The metal-coordination geometry of each compound is best described as pseudotetrahedral with the Cp* ring and the 2-Ph-PhO and chloride ligands occupying three leg positions in a piano-stool geometry. The mean Ti-O distances, observed with an increasing number of 2-Ph-PhO groups, are 1.784(3), 1.802(4), and 1.799(3) angstrom for 1PhCl2, 2 PhCl, and 3Ph, respectively. All four alkyl/aryl series with Me, iPr, tBu, and Ph substituents were tested for ethylene homopolymerization after activation with Ph(3)C(+)[B(C(6)F(5))(4)](-) and modified methyaluminoxane (7% aluminum in iso-par E; mMAO-7) at 140 C. The phenyl series showed much higher catalytic activity, which ranged from 43.2 and 65.4 kg(mmol of Ti.h)(-1), than the Me, iPr, and tBu series (19.2 and 36.6kg(mmol of Ti-h)(-1)). Among the phenyl series, the bis(phenoxide) complex of 2PhCl showed the highest activity of 65.4 kg (mmol of Ti.h)(-1). Therefore, the catalyst precursors of the phenyl series were examined by treating them with a variety of alkylating reagents, such as trimethylaluminum (TMA), triisobutylaluminum (TIBA), and methylaluminoxane (MAO). In all cases, 2 PhCl produced the most catalytically active alkylated species, [Cp*Ti(2-Ph-PhO)MeCl]. This enhancement was further supported by DFT calculations based on the simplified model with TMA. | - |
dc.language | English | - |
dc.language.iso | en | - |
dc.publisher | WILEY-BLACKWELL | - |
dc.subject | FOCK-SLATER CALCULATIONS | - |
dc.subject | OLEFIN POLYMERIZATION | - |
dc.subject | CRYSTAL-STRUCTURE | - |
dc.subject | CYCLOPENTADIENYL | - |
dc.subject | CATALYSTS | - |
dc.subject | ME | - |
dc.subject | SUBSTITUENTS | - |
dc.subject | LIGATION | - |
dc.subject | SYSTEMS | - |
dc.title | Sterically Less-Hindered Half-Titanocene(IV) Phenoxides: Ancillary-Ligand Effect on Mono-, Bis-, and Tris(2-Alkyl-/arylphenoxy) Titanium(IV) Chloride Complexes | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Kang, Sang Ook | - |
dc.identifier.doi | 10.1002/chem.201000191 | - |
dc.identifier.scopusid | 2-s2.0-77952148004 | - |
dc.identifier.wosid | 000278349700018 | - |
dc.identifier.bibliographicCitation | CHEMISTRY-A EUROPEAN JOURNAL, v.16, no.19, pp.5630 - 5644 | - |
dc.relation.isPartOf | CHEMISTRY-A EUROPEAN JOURNAL | - |
dc.citation.title | CHEMISTRY-A EUROPEAN JOURNAL | - |
dc.citation.volume | 16 | - |
dc.citation.number | 19 | - |
dc.citation.startPage | 5630 | - |
dc.citation.endPage | 5644 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary | - |
dc.subject.keywordPlus | FOCK-SLATER CALCULATIONS | - |
dc.subject.keywordPlus | OLEFIN POLYMERIZATION | - |
dc.subject.keywordPlus | CRYSTAL-STRUCTURE | - |
dc.subject.keywordPlus | CYCLOPENTADIENYL | - |
dc.subject.keywordPlus | CATALYSTS | - |
dc.subject.keywordPlus | ME | - |
dc.subject.keywordPlus | SUBSTITUENTS | - |
dc.subject.keywordPlus | LIGATION | - |
dc.subject.keywordPlus | SYSTEMS | - |
dc.subject.keywordAuthor | alkylation | - |
dc.subject.keywordAuthor | density functional calculations | - |
dc.subject.keywordAuthor | polymerization | - |
dc.subject.keywordAuthor | titanium | - |
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