Sulfur-containing trinuclear arene ruthenium clusters

Tschan, Mathieu J.‐L.; Therrien, Bruno; Cherioux, Frédéric; Süß‐Fink, Georg

doi:10.1016/j.molstruc.2005.03.006

Cited by 4 publications

(2 citation statements)

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“…HOMO−LUMO gap (eV) 1.93 2.01 2.15 2.44 RuRu 2.47 2.47 2.60 2.62 2.79 2.81 3.32 3.32 Ru−H 1.77 1.78 1.75 1.63 1.76 1.70 Ru−S 2.32 2.36 2.34 2.35 2.37 2.39 S−C 1.79 1.78 b 1.78 1.79 1.78 1.80 Ru−S−Ru 68.0 65.3 73.8 73.3 88.6 87.7 Ru−H−Ru 88.9 87.7 95.5 108.1 103.8 111.6 ϑ a 0.0 31.3 43.7 0.0 a ϑ is the bending angle (deg) between the planes formed by the two benzyl rings. b Average S−C distances of monobridged arene−Ru−SR−Ru−arene systems …”

Section: Electronic Structure Calculationsmentioning

confidence: 99%

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Electron-Structure Calculations and Bond Order Analysis Using Density Functional Theory of Cationic Dinuclear Arene Ruthenium Complexes

et al. 2007

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The structure and nature of the metal−metal bonding interaction in the cationic complexes [(η 6 -C 6 + (4) have been studied at the density functional theory (DFT) level using molecular orbital (MO) theory, bond order (BO) analysis, bond decomposition energy (BDE), electron localization function (ELF), and Laplacian of the density methods. The results show that there is no direct bond between the two ruthenium atoms in 1−4, the MO interaction within the diruthenium backbone being stabilized by the bridging ligands. For complex 1, the ELF clearly shows that the bond within the diruthenium backbone is through the three bridging hydride ligands, which act as a sort of glue by forming three-center two-electron bonds characterized by (Ru, H, Ru) basins with 1.8 e mostly located in the H atomic basin.

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Section: Electronic Structure Calculationsmentioning

confidence: 99%

“… a ϑ is the bending angle (deg) between the planes formed by the two benzyl rings. b Average S−C distances of monobridged arene−Ru−SR−Ru−arene systems …”

Section: Electronic Structure Calculationsmentioning

confidence: 99%

Electron-Structure Calculations and Bond Order Analysis Using Density Functional Theory of Cationic Dinuclear Arene Ruthenium Complexes

et al. 2007

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The Chemistry of Metal Thiophenolates

Klingele¹,

Kersting²

2013

Patai's Chemistry of Functional Groups

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The present article reviews structures, properties, reactivity and applications of transition metal complexes supported by the parent thiophenolate ligand system and various derivatives thereof. This extensive outline of literature published in the last decade covers publications about di‐ and higher nuclear complexes that exhibit bridging thiophenolate functions. The structuring of this contribution is based on the type of ligand involved in the coordination, covering monodentate thiophenolate ligands as well as bi‐ and higher dentate derivatives being acyclic or macrocyclic. An emphasis is set on structures but reactions, reactivity and catalysis, redox chemistry, and other properties of the complexes in review are discussed where appropriate.

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Synthesis, Structural and Biological Studies of Some Half‐Sandwich d⁶‐Metal Complexes with Pyrimidine‐Based Ligands

et al. 2017

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The reaction of metal precursors {[Cp*MCl2]2 (M=Rh, Ir)} with 2‐aminopyrimidine (L1) gave binuclear complexes as [(Cp*MCl2)2(μ‐L1)], where L1 acted as a bridging ligand. While 2‐mercaptopyrimidine (L2) with [Cp*MCl2]2 {M=Rh(III), Ir(III)} formed mononuclear di substituted complexes as [Cp*M(L2)2], where L2 acted as a chelating as well as a monodentate ligand. The reaction of [CpRu(PPh3)2Cl] with 2‐mercaptopyrimidine (L2) led to the formation of mononuclear complex as general formula [CpRu(PPh3)(L2)] in presence of a base. 2‐Mercaptopyrimidine ligand resulted complexes with strained four‐membered metallacycle while 2‐aminopyrimidine yielded bridged complexes. HOMO‐LUMO energy gaps and UV‐Visible bands were additionally rationalised by the DFT studies. The binding ability of the complexes to the CT‐DNA was confirmed using UV‐Visible and fluorescence spectroscopy. In vitro antibacterial activity of the complexes was evaluated against human pathogenic bacteria. Cytotoxicity of the complexes was examined by the MTT assay over three cancerous and one non‐cancer cell lines viz., BE, HT‐29, MIA−Pa‐Ca2 and ARPE‐19.

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Sulfur-containing trinuclear arene ruthenium clusters

Abstract: [PF 6 ] the absence of a m 3 -SR ligand combined with the presence of one terminal chloro unit gives rise to a closo metallic arrangement.

Cited by 4 publications

References 26 publications

Electron-Structure Calculations and Bond Order Analysis Using Density Functional Theory of Cationic Dinuclear Arene Ruthenium Complexes

Electron-Structure Calculations and Bond Order Analysis Using Density Functional Theory of Cationic Dinuclear Arene Ruthenium Complexes

The Chemistry of Metal Thiophenolates

Synthesis, Structural and Biological Studies of Some Half‐Sandwich d⁶‐Metal Complexes with Pyrimidine‐Based Ligands

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Sulfur-containing trinuclear arene ruthenium clusters

Abstract: [PF 6 ] the absence of a m 3 -SR ligand combined with the presence of one terminal chloro unit gives rise to a closo metallic arrangement.

Cited by 4 publications

References 26 publications

Electron-Structure Calculations and Bond Order Analysis Using Density Functional Theory of Cationic Dinuclear Arene Ruthenium Complexes

Electron-Structure Calculations and Bond Order Analysis Using Density Functional Theory of Cationic Dinuclear Arene Ruthenium Complexes

The Chemistry of Metal Thiophenolates

Synthesis, Structural and Biological Studies of Some Half‐Sandwich d6‐Metal Complexes with Pyrimidine‐Based Ligands

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Synthesis, Structural and Biological Studies of Some Half‐Sandwich d⁶‐Metal Complexes with Pyrimidine‐Based Ligands