2005
DOI: 10.1016/j.jorganchem.2005.05.047
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Synthesis and characterisation of new pyrazole–phosphinite ligands and their ruthenium(II) arene complexes

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Cited by 52 publications
(42 citation statements)
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(52 reference statements)
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“…The energy decomposition analysis of the complexes, based on the work of Morokuma [28][29][30], and the extended transition state (ETS) partitioning scheme of Ziegler [31,32] have been carried out using the ADF program (Release 2008) [33] at the level of B3LYP/TZP. The binding energy of each compound was calculated as the difference between the energy of the geometry optimized (2) 0.93 2.80 3.267(4) 112.6 C(7)-H (7)…Cl (1) complexes and the energies of the optimized free ligands Hmtp and pyrimidine and the [(C 6 H 6 )RuCl 2 ] fragment.…”
Section: Geometry and Electronic Structurementioning
confidence: 99%
“…The energy decomposition analysis of the complexes, based on the work of Morokuma [28][29][30], and the extended transition state (ETS) partitioning scheme of Ziegler [31,32] have been carried out using the ADF program (Release 2008) [33] at the level of B3LYP/TZP. The binding energy of each compound was calculated as the difference between the energy of the geometry optimized (2) 0.93 2.80 3.267(4) 112.6 C(7)-H (7)…Cl (1) complexes and the energies of the optimized free ligands Hmtp and pyrimidine and the [(C 6 H 6 )RuCl 2 ] fragment.…”
Section: Geometry and Electronic Structurementioning
confidence: 99%
“…[9][10][11][12] Furthermore, the ruthenium complex [(η 5 -C 5 H 5 )-Ru(PPh 3 ) 2 Cl] and the dimeric complexes [{(η 6 -arene)Ru(µ-Cl)Cl} 2 ] (η 6 arene = C 6 H 6 , C 10 H 14 , and C 6 Me 6 ) and [{(η 5 -C 5 Me 5 )M(µ-Cl)Cl} 2 ] (M = Rh or Ir) play a vital role in organometallic chemistry. [13][14][15][16] While the reactivity of these precursors with a variety of ligands has been reported, its reactivity with PPh 2 EtPy is yet to be explored. It is well established that simple phosphane-containing ruthenium, rhodium, and iridium complexes acts as active catalysts, particularly in presence of a base and incorporation of the η 5 -C 5 H 5 , η 5 -C 5 Me 5 , and η 6 -arene as spectator ligands in the complexes boosts enantioselectivity of the respective reactions.…”
Section: Introductionmentioning
confidence: 99%
“…from clear orange to deep red, was attributed to the dimer cleavage most probably by the bis(phosphinite) ligand. [45] Ru{chloro ( [46,47] It is significant to remark that 31 P-{ 1 H} NMR signals of ligands and complexes do not differ significantly. [48] Elemental analyses of products 3 and 4 are consistent with the suggested molecular formulas.…”
Section: Synthesis Of the Ruthenium Complexes 3 Andmentioning
confidence: 95%