Monosubstituted cyclopentadienyl half-sandwich transition metal complexes

Coville, Neil J.; Plooy, Karen E. du; Pickl, Wolfgang

doi:10.1016/0010-8545(92)80070-8

Cited by 117 publications

(40 citation statements)

References 801 publications

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“…Fig 4. Graph showing the linear correlation between the out-of-plane bending of the substituents and the Cp center -M distance (negative angles are defined as bending towards the metal, see Scheme 1).…”

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Superbulky metallocene complexes of the heavier alkaline-earth metals strontium and barium

et al. 2008

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Superbulky metallocene complexes of the heavier alkaline-earth metals strontium and barium

et al. 2008

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“…For reviews on half-sandwich complexes containing group 8 metals, see: Coville et al (1992); Jimé nez-Tenorio et al (2004). For the synthesis and properties of the title complex, see: Arliguie et al (1988); Schmid et al (2003); Loughrey et al (2008).…”

Section: Related Literaturementioning

confidence: 99%

(η⁵-Pentamethylcyclopentadienyl)(η⁶-toluene)ruthenium(II) hexafluoridophosphate

Lough

Morris

2010

Acta Cryst E

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In the title complex, [Ru(C7H8)(C10H15)]PF6, the cation lies on a mirror plane and the anion lies on an inversion center. The distance between the Ru atom and the centroid of the benzene ring is 1.706 (5) Å and the distance between the Ru atom and the cyclopentadienyl ring is 1.811 (5) Å. The crystal structure is stabilized by weak C—H⋯F hydrogen bonds. The H atoms of the methyl groups which lie on the mirror plane are disordered over two sites with equal occupancies.

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“…This method was criticized because the obtained values may not reflect the properties of the ligand, particularly when the substituent groups differ greatly [5]. It seems that few geometric tools are available to measure steric effects in organometallic chemistry, and that could explain why ligand cone angles were much used in this field [6][7][8][9], Recently, Bilbrey et al [10][11][12] proposed an analytic solution to the ligand cone angle calculation.…”

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confidence: 99%

Analytical algorithms for ligand cone angles calculations. Application to triphenylphosphine palladium complexes

Petitjean

2015

Comptes Rendus. Chimie

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Mots cle´s : Angle conique de Tolman Angle conique de ligand Cône minimal englobant Meilleur cône moyen d-dimensionnel Moindre carré s Indice de conicité A B S T R A C TWe defined the smallest enclosing cone angle as the Tolman cone angle for null atomic spheres radii. Then we provide a simple analytical algorithm to compute the smallest enclosing cone at fixed apex, which works in the case of unsymmetrical ligand. We applied it to compute ligand cones for a family of triphenylphosphine palladium complexes, and we showed that both the angle of the cone and its resulting solid angle strongly correlate with the Tolman cone angle, thus suggesting that there is no more need for atomic radii. We also defined the best cone of fixed apex fitting a population of unit vectors. We proposed a simple analytical algorithm to compute it, which is proved to work in any ddimensional Euclidean space. We defined the conicity index k to evaluate quantitavely the pertinence of the best fitting cone. We used this best fit cone to define a mean ligand cone, and thus a mean cone angle and a mean cone axis. We applied it to our family of triphenylphosphine palladium complexes and we observed that the axis of the individual cones deviated from the mean cone axis by at most 13.28. The observed conicity index was small k ¼ 0:0177 ð Þ, indicating a very good fit for the whole family of complexes. ß 2015 Acadé mie des sciences. Published by Elsevier Masson SAS. All rights reserved. R É S U M ÉNous dé finissons l'angle du plus petit cô ne englobant comme é tant l'angle conique de Tolman à rayons atomiques nuls. Puis, nous fournissons un algorithme analytique simple de calcul du plus petit cô ne englobant à apex fixé , qui fonctionne dans le cas des ligands non symé triques. Nous l'appliquons aux cônes de ligands pour une famille de complexes palladium triphenylphosphine et nous montrons qu'à la fois l'angle du cô ne et l'angle solide qui en ré sulte sont fortement corré lé s avec l'angle conique de Tolman, suggé rant ainsi qu'il n'y a plus besoin des rayons atomiques. Nous dé finissons aussi le meilleur cône moyen d'apex fixé pour une population de vecteurs unitaires. Nous proposons un algorithme analytique simple pour le calculer, que nous prouvons être valide dans tout espace euclidien d-dimensionnel. Nous dé finissons l'indice de conicité k pour é valuer quantitativement la pertinence du meilleur cône. Nous utilisons ce meilleur cô ne pour dé finir un cô ne moyen de ligand, et donc un angle moyen de cône et un axe moyen de cô ne. Nous l'appliquons à notre famille de complexes palladium triphenylphosphine et nous

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Monosubstituted cyclopentadienyl half-sandwich transition metal complexes

Cited by 117 publications

References 801 publications

Superbulky metallocene complexes of the heavier alkaline-earth metals strontium and barium

Superbulky metallocene complexes of the heavier alkaline-earth metals strontium and barium

(η⁵-Pentamethylcyclopentadienyl)(η⁶-toluene)ruthenium(II) hexafluoridophosphate

Analytical algorithms for ligand cone angles calculations. Application to triphenylphosphine palladium complexes

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Monosubstituted cyclopentadienyl half-sandwich transition metal complexes

Cited by 117 publications

References 801 publications

Superbulky metallocene complexes of the heavier alkaline-earth metals strontium and barium

Superbulky metallocene complexes of the heavier alkaline-earth metals strontium and barium

(η5-Pentamethylcyclopentadienyl)(η6-toluene)ruthenium(II) hexafluoridophosphate

Analytical algorithms for ligand cone angles calculations. Application to triphenylphosphine palladium complexes

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(η⁵-Pentamethylcyclopentadienyl)(η⁶-toluene)ruthenium(II) hexafluoridophosphate