ansa-Metallocene derivatives : Molecular structure and proton magnetic resonance spectra or methylene- and ethylene-bridged dicyclopentadienyltitanium compounds
ansa-Metallocene derivatives : Molecular structure and proton magnetic resonance spectra or methylene- and ethylene-bridged dicyclopentadienyltitanium compounds
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1979
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Journal of Organometallic Chemistry ; 173 (1979), 2. - pp. 175-185. - ISSN 0022-328X
Abstract
The molecular structure of the methylene-bridged titanocene dichloride, CH2(C5H4)2TiCl2, and that of the novel, ethylene-bridged derivative, (CH2)2-(C5H4)2TiCl2 have been determined by X-ray diffraction methods. In these molecules the cyclopentadienyl ligands are highly restricted in their torsional mobility. An angle of 65° between the two ring planes, a C-C-C angle of 97.5° at the methylene carbon atom, and other geometrical data, indicate a high degree of strain in the methylene-bridged derivative, whereas the ligand geometry of the ethylene-bridged derivative does not deviate significantly from that of unbridged titanocene dichloride. 1H NMR spectra for ansa-titanocene derivatives of general type (CH2)n-C5H4)2TiX2 (n = 1–3, X = Cl, CH3, CO) are reported; the varying degrees of splitting between the high-field and the low-field portions of an A2B2 resonance pattern due to the cyclopentadienyl hydrogen atoms are interpreted in terms of bonding goemetries.
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SMITH, James A., Joachim VON SEYERL, Gottfried HUTTNER, Hans-Herbert BRINTZINGER, 1979. ansa-Metallocene derivatives : Molecular structure and proton magnetic resonance spectra or methylene- and ethylene-bridged dicyclopentadienyltitanium compounds. In: Journal of Organometallic Chemistry. 173(2), pp. 175-185. ISSN 0022-328X. Available under: doi: 10.1016/S0022-328X(00)81287-5BibTex
@article{Smith1979ansaM-23915, year={1979}, doi={10.1016/S0022-328X(00)81287-5}, title={ansa-Metallocene derivatives : Molecular structure and proton magnetic resonance spectra or methylene- and ethylene-bridged dicyclopentadienyltitanium compounds}, number={2}, volume={173}, issn={0022-328X}, journal={Journal of Organometallic Chemistry}, pages={175--185}, author={Smith, James A. and von Seyerl, Joachim and Huttner, Gottfried and Brintzinger, Hans-Herbert} }
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<rdf:RDF xmlns:dcterms="http://purl.org/dc/terms/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bibo="http://purl.org/ontology/bibo/" xmlns:dspace="http://digital-repositories.org/ontologies/dspace/0.1.0#" xmlns:foaf="http://xmlns.com/foaf/0.1/" xmlns:void="http://rdfs.org/ns/void#" xmlns:xsd="http://www.w3.org/2001/XMLSchema#" > <rdf:Description rdf:about="https://kops.uni-konstanz.de/server/rdf/resource/123456789/23915"> <dc:contributor>Huttner, Gottfried</dc:contributor> <dc:contributor>von Seyerl, Joachim</dc:contributor> <dspace:hasBitstream rdf:resource="https://kops.uni-konstanz.de/bitstream/123456789/23915/1/Smith_239152.pdf"/> <dc:contributor>Smith, James A.</dc:contributor> <dspace:isPartOfCollection rdf:resource="https://kops.uni-konstanz.de/server/rdf/resource/123456789/29"/> <dc:language>eng</dc:language> <dc:creator>von Seyerl, Joachim</dc:creator> <dcterms:rights rdf:resource="https://rightsstatements.org/page/InC/1.0/"/> <dcterms:bibliographicCitation>Journal of Organometallic Chemistry ; 173 (1979), 2. - S. 175-185</dcterms:bibliographicCitation> <dc:date rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2013-07-30T09:18:05Z</dc:date> <dcterms:available rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2013-07-30T09:18:05Z</dcterms:available> <dc:creator>Huttner, Gottfried</dc:creator> <dcterms:title>ansa-Metallocene derivatives : Molecular structure and proton magnetic resonance spectra or methylene- and ethylene-bridged dicyclopentadienyltitanium compounds</dcterms:title> <bibo:uri rdf:resource="http://kops.uni-konstanz.de/handle/123456789/23915"/> <dcterms:issued>1979</dcterms:issued> <dcterms:isPartOf rdf:resource="https://kops.uni-konstanz.de/server/rdf/resource/123456789/29"/> <foaf:homepage rdf:resource="http://localhost:8080/"/> <void:sparqlEndpoint rdf:resource="http://localhost/fuseki/dspace/sparql"/> <dcterms:abstract xml:lang="eng">The molecular structure of the methylene-bridged titanocene dichloride, CH<sub>2</sub>(C<sub>5</sub>H<sub>4</sub>)<sub>2</sub>TiCl<sub>2</sub>, and that of the novel, ethylene-bridged derivative, (CH<sub>2</sub>)<sub>2</sub>-(C<sub>5</sub>H<sub>4</sub>)<sub>2</sub>TiCl<sub>2</sub> have been determined by X-ray diffraction methods. In these molecules the cyclopentadienyl ligands are highly restricted in their torsional mobility. An angle of 65° between the two ring planes, a C-C-C angle of 97.5° at the methylene carbon atom, and other geometrical data, indicate a high degree of strain in the methylene-bridged derivative, whereas the ligand geometry of the ethylene-bridged derivative does not deviate significantly from that of unbridged titanocene dichloride. <sup>1</sup>H NMR spectra for ansa-titanocene derivatives of general type (CH<sub>2</sub>)<sub>n</sub>-C<sub>5</sub>H<sub>4</sub>)<sub>2</sub>TiX<sub>2</sub> (n = 1–3, X = Cl, CH<sub>3</sub>, CO) are reported; the varying degrees of splitting between the high-field and the low-field portions of an A<sub>2</sub>B<sub>2</sub> resonance pattern due to the cyclopentadienyl hydrogen atoms are interpreted in terms of bonding goemetries.</dcterms:abstract> <dcterms:hasPart rdf:resource="https://kops.uni-konstanz.de/bitstream/123456789/23915/1/Smith_239152.pdf"/> <dc:rights>terms-of-use</dc:rights> <dc:contributor>Brintzinger, Hans-Herbert</dc:contributor> <dc:creator>Brintzinger, Hans-Herbert</dc:creator> <dc:creator>Smith, James A.</dc:creator> </rdf:Description> </rdf:RDF>