Aug 2026· Organometallics· Vol 45, pp. 2165-2169· 0 citations· 34 references
Abstract
The binding strength of various dienes was established by NMR investigation of ligand exchange reactions in (diene)Rh(acac) complexes. The binding affinity decreases in the following order: tetraphenyl-cyclopentadienone >1,5-cyclooctadiene > norbornadiene > tetrafluoro-benzobarrelene > dimethyl-tetrafluoro-benzobarrelene > bis(carboxymethyl)-norbornadiene ≫ bis(tert-butyl)-1,4-quinone >1,5-hexadiene > bis(carboxymethyl)-2,2,2-bicyclooctadiene > carvone >1,4-benzoquinone. The experimental data were used to validate the B97-3c method, which reproduces the observed trends with good accuracy (MAD = 1.1 kcal mol–1) and can be applied for rapid prediction of coordination strength. Computational screening of metal–diene combinations shows that the metal fragment has a larger impact on stability than the diene itself. In line with the Dewar–Chatt–Duncanson model, more electron-rich metals form more stable diene complexes. Electron-withdrawing cyclopentadienone and benzoquinone were identified as strong and effective ligands for further investigation in catalysis.
A new Ru(II) half-sandwich complex, 1, containing an η6-p-cymene ligand and (E)-1-(pyren-1-ylmethylidene)hydrazine, was synthesized in good yield and characterized by FTIR, NMR, elemental analysis, and density functional theory calculations. The close agreement between experimental and theoretical FTIR, 1H NMR, and 13C...
Stefan Perendija, D. Dimić, Dejan Milenković et al.· Frontiers in Chemistry· 0 citations
Two novel Ni(II) and Cu(II) mixed-ligand complexes, NiMBIM and CuMBIM, were successfully synthesized using 1-isopropyl-1H-benzimidazole-2-carbaldehyde (MB) and 2-(4,5-diphenyl-1H-imidazol-2-yl)phenol (IM). Their structures were characterized via CHN elemental analysis, UV–Vis and FT-IR spectroscopy, mass spectrometry,...
Abdulaziz M. Almohyawi, A. Abdou, M. Al-Rooqi et al.· Scientific Reports· 0 citations
Abstract: The research included the preparation and characterization of new cadmium(II) complexes using the ligand 5-(Benzylthio)-1H-tetrazole (L) as a base material, in the presence of mono- and bidentate phosphines. The complexes [CdL2(PPh3)2]Cl2, [Cd2L4(µ-dppm)2]Cl2, and [CdL2(dppp)]Cl2 were obtained. Scann...
Riyad· Al-Kitab Journal for Pure Sc...· 0 citations
DFT calculations were performed for ligand 2 and its diorganotin(IV) complexes (7–9), providing insights into structural, electronic features of the compounds and also helps to assess various descriptors that help to determine their stability and reactivity order.
Shikha Poonia, Sonika Asija, C. Kaushik et al.· Research on chemical interme...· 0 citations
The synthesis of unsaturated β-hydroxy nitriles is of significant importance in pharmaceutical and materials chemistry. However, traditional transition-metal-catalyzed reactions of α,β-unsaturated carbonyls often suffer from poor regioselectivity, favoring the thermodynamically controlled 1,4-addition over the desired...
Ye-Chuan Duan, Lu-Jia Zhong, Bin Chen et al.· Journal of Physical Chemistr...· 0 citations
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