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Development of unique dianionic Ir(III) CCC pincer complexes with a favourable spirocyclic NHC framework
A new type of dianionic Ir(III) CCC pincer complexes (SNHC-Ir, 1a - 1c ) is successfully designed and synthesized by develo** a one-step methodology,...
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The Chemistry of Phosphinous Amides (Aminophosphanes): Old Reagents with New Applications
This chapter is devoted to phosphinous amides, a particular class of tervalent aminophosphanes. First, attention is focused on their stability and...
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Synthesis of trans-1,2-dimetalloalkenes through reductive anti-dimagnesiation and dialumination of alkynes
Polar reactive organometallic species have been key reagents in synthesis for more than a century. Stereodefined 1,2-dimetallated alkenes offer...
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Crystalline cyclic (alkyl)(amino)stannylene via transient stannyne
We demonstrate that a bulky cyclic amino ligand, specifically 1,1,3,3-tetraphenylisoindolinyl, can facilitate the formation of a transient stannyne,...
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Unusual selective reactivity of the rare-earth metal complexes bearing a ligand with multiple functionalities
Ligands play a key role in controlling activity of organometallic complexes so that development of new ligands to overcome the challenge is the main...
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Transition Metal Catalyzed σ-Bond Activation and Formation Reactions
The factors controlling the transition metal catalyzed σ-bond (including H-H, C-H and C-C) activation and formation, the fundamental steps of many...
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Ligand effects on coordination properties of organolithium compounds: insights from computational experiments on a “weakened” Li+
A simple numerical experiment is presented which allows tuning the lithium electrophilicity, a parameter strongly affected by the solvent and...
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Complexes with a Metal-Phosphorus Triple Bond
A survey of the existing complexes containing a transition metal-phosphorus triple bond is presented. Based on the different types of these...
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Computational Rationalization of the Interaction of Fe(CO)4 and Substituted Benzyne Ligands
This study investigates the effect of different substituents on the interactions between Fe(CO) 4 and substituted benzynes (C 6 X 4 , X = H, F, Cl, Br,...
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Ultrasmall amorphous zirconia nanoparticles catalyse polyolefin hydrogenolysis
Carbon–carbon bond cleavage reactions, adapted to deconstruct aliphatic hydrocarbon polymers and recover the intrinsic energy and carbon value in...
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Quantitative assessment of the nature and strength of Au‒dithiolate bond in gold(III) bis(1,2-dithiolate) homoleptic complexes
Quantum chemical calculations at the BP86/def2-TZVP and M06/def2-TZVP levels of theory have been carried out to investigate the nature and strength...
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A new coordination polymer of Cd(II) with 4-methyl-1,2,4-triazole-3-thiol ligand: synthesis, characterization, crystal structure, photoluminescence and DFT calculation
A new Cadmiun(II) coordination polymer, {[Cd(µ-mptrz) 2 ].0.5((CH 3 ) 2 SO)} n was prepared from the reaction of CdBr 2 with 4-methyl-4 H -1,2,4-triazole-3-thio...
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Generation, bonding and reactivity of transient zinc-substituted silylenes
The metal-substituted silylenes are of high interest, as the theoretical studies indicated that the silylenes with electropositive substituents have...
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Investigation of Potential of Mn-Doped C60, Si60 and Al30P30 Nanocages to Oxidize the Formaldehyde to CO2
The formaldehyde (HCHO) is produced from building materials and it can cause illness and cancer in human. The oxidation of HCHO is acceptable pathway...
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“Zwitterionic Phospholide Derivatives—New Ambiphilic Ligands”
Attachment of one or two phosphonio substituents converts a phospholide anion not only into a zwitterion or cation but induces as well a...
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New Directions in the Modeling of Organometallic Reactions
This book focuses on the computational modeling of organometallic reactivity. In recent years, computational methods, particularly those based on...
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Gas-Phase Thermochemistry and Mechanism of Organometallic Tin Oxide CVD Precursors
Organometallic compounds are commonly used precursors for the formation of tin oxide films by chemical vapor deposition (CVD) methods. The high...
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Lanthanide Organometallics as Single-Molecule Magnets
Innovative synthetic chemistry has underpinned many important advances in molecular magnetism, particularly so with the development of...