About: Synthesis, structure, and fluxional behaviour of highly-substituted group 4 cyclopentadienyl arylaminate complexes

Facets (new session)
Description
Metadata
Settings
- owl:sameAs
- Inference Rule:

About: Synthesis, structure, and fluxional behaviour of highly-substituted group 4 cyclopentadienyl arylaminate complexes Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

Attributes	Values
rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The series of half-sandwich metallocenes of group 4 metals containing the C,N-chelating ligand (η5-C5Me4R)MCl2(C6H4CH2NMe2-κ2C,N) (M = Ti(1), Zr(2), Hf(3); R = Me(C), H(D)) were prepared by reacting the corresponding pentamethyl- and tetramethyl-substituted cyclopentadienylmetal trichlorides (η5-C5Me4R)MCl3 (M = Ti(1), Zr(2), Hf(3); R = Me(A), H(B)) with 2-[(dimethylamino)methyl]phenyl lithium. The X-ray crystal structure analysis of 1C–3C showed that they are isostructural/isomorphous containing two pairs of enantiomers in a P21/c unit cell, whereas crystals of 2D and 3D contained only one enantiomer in a P212121 unit cell. The presence of enantiomers in solution was resolved in variable temperature 1H NMR spectra below the temperature of signal coalescence. The transition state for interconversion of the two enantiomers for 1C was identified by DFT results to be on a 2nd order saddle point. Synthesis of η5-tetramethylcyclopentadienylmetal trichlorides 2B and 3B and their tetrameric and dimeric crystal structures are also reported. The series of half-sandwich metallocenes of group 4 metals containing the C,N-chelating ligand (η5-C5Me4R)MCl2(C6H4CH2NMe2-κ2C,N) (M = Ti(1), Zr(2), Hf(3); R = Me(C), H(D)) were prepared by reacting the corresponding pentamethyl- and tetramethyl-substituted cyclopentadienylmetal trichlorides (η5-C5Me4R)MCl3 (M = Ti(1), Zr(2), Hf(3); R = Me(A), H(B)) with 2-[(dimethylamino)methyl]phenyl lithium. The X-ray crystal structure analysis of 1C–3C showed that they are isostructural/isomorphous containing two pairs of enantiomers in a P21/c unit cell, whereas crystals of 2D and 3D contained only one enantiomer in a P212121 unit cell. The presence of enantiomers in solution was resolved in variable temperature 1H NMR spectra below the temperature of signal coalescence. The transition state for interconversion of the two enantiomers for 1C was identified by DFT results to be on a 2nd order saddle point. Synthesis of η5-tetramethylcyclopentadienylmetal trichlorides 2B and 3B and their tetrameric and dimeric crystal structures are also reported. (en)
Title	Synthesis, structure, and fluxional behaviour of highly-substituted group 4 cyclopentadienyl arylaminate complexes Synthesis, structure, and fluxional behaviour of highly-substituted group 4 cyclopentadienyl arylaminate complexes (en)
skos:prefLabel	Synthesis, structure, and fluxional behaviour of highly-substituted group 4 cyclopentadienyl arylaminate complexes Synthesis, structure, and fluxional behaviour of highly-substituted group 4 cyclopentadienyl arylaminate complexes (en)
skos:notation	RIV/61388955:_____/12:00380854!RIV13-GA0-61388955
http://linked.open...avai/riv/aktivita	I P S Z
http://linked.open...avai/riv/aktivity	I, P(GAP106/10/0924), S, Z(AV0Z40400503)
http://linked.open...iv/cisloPeriodika	November
http://linked.open...vai/riv/dodaniDat	2013
http://linked.open...aciTvurceVysledku	Horáček, Michal Pinkas, Jiří Lamač, Martin Gyepes, Robert
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav fyzikální chemie J. Heyrovského AV ČR, v.v.i.
http://linked.open...dnocenehoVysledku	173002
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/12:00380854
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Half-sandwich complexes; Titanium Zirconium; Hafnium (en)
http://linked.open.../riv/klicoveSlovo	Hafnium Half-sandwich complexes Titanium Zirconium
http://linked.open...odStatuVydavatele	CH - Švýcarská konfederace
http://linked.open...ontrolniKodProRIV	[D1149CF2C5D2]
http://linked.open...i/riv/nazevZdroje	Journal of Organometallic Chemistry
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	4 (xsd:int)
http://linked.open...cetTvurcuVysledku	7 (xsd:int)
http://linked.open...vavai/riv/projekt	The electron deficient transition metal complexes containing bifunctional beta-diketiminate and cyclopentadienyl ligands – design of new catalysts.
http://linked.open...UplatneniVysledku	2012
http://linked.open...v/svazekPeriodika	719
http://linked.open...iv/tvurceVysledku	Padělková, Z. Pinkas, Jiří Růžička, A. Horáček, Michal Lamač, Martin Gyepes, Robert Havlík, A.
http://linked.open...ain/vavai/riv/wos	000310769600011
http://linked.open...n/vavai/riv/zamer	Struktura, reaktivita a dynamika molekulárních a biomolekulárních systémů: teorie, experiment, aplikace
issn	0022-328X
number of pages	10 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.jorganchem.2012.07.036

Faceted Search & Find service v1.16.118 as of Jun 21 2024

Alternative Linked Data Documents: ODE Content Formats:

RDF

ODATA

Microdata

About

OpenLink Virtuoso version 07.20.3240 as of Jun 21 2024, on Linux (x86_64-pc-linux-gnu), Single-Server Edition (126 GB total memory, 36 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software