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Showing 1 to 19 of 19 for “"Three-coordinate"”.
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Synthetic approaches to new three coordinate Group 6 compounds : chromium alkenyls, molybdenum thiolates and tungsten amides
A series of alkenyl (-C[Ad]Ar) and thioalkenyl (-SC[Ad]Ar, Ad=2-adamantylidene, Ar=3,5-Me2C6H3, 4-tBuC6H4, 3,5-(C6H5)2C6H3, 3,5-(4-tBu-C6H4)2 C6H3) ligands have been prepared. The alkenyl ligands are synthesized by bromination and dehydrohalogenation of an adamantyl olefin to yield an alkenyl …
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Complexation, coupling, and cleavage of organonitriles, alkynes, dinitrogen, hydrostannanes or phosphines by three-coordinate molybdenum(III) complexes
Thesis (Ph.D.)--Massachusetts Institute of Technology, Dept. of Chemistry, February 2002.
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Synthesis and reactivity of early transitional metal complexes supported by sterically demanding amido ligands
… N-tert-Butylanilide -- Chapter 3: Three-Coordinate Molybdenum(III) Complexes: Synthesis, Properties, and Nitrogen Atom Transfer Thereto -- Chapter 4: The Molybdenum-Phosphorus Triple Bond: Terminal Phosphido Complexes and Phosphorus Atom Transfer -- Chapter 5: Oxygenation of …
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Synthesis, characterization and properties of rigid macromolecules with extended conjugation, using palladium-catalyzed alkynylated polyhaloarenes.
… respectively. The proposed three-coordinate Au (I) complexed macromolecules will be derived from the metallation of the aforementioned alkynylated arenes.
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Synthesis and small molecule chemistry of the niobaziridine-hydride functional group
… serves as a protecting group for the reactive three-coordinate d² species, Nb(N[Np]Ar)₃ (2a), via reversible C-H activation of the 3- ]H-containing N[Np]Ar ligand. At elevated temperatures, complex la-H rapidly converts to the neopentylimido complex, Nb(NNp)(Ar)(N[Np]Ar)₃ (3a), which is the …
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Scaling finite difference methods in large eddy simulation of jet engine noise to the petascale: numerical methods and their efficient and automated implementation
… linear systems spatially oriented along the three coordinate directions of the computational space. Traditionally, researchers and engineers in CAA have employed manually crafted implementations of solvers including the transposition method, the multiblock method and the Schur complement …
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Three-Dimensional Non-Axisymmetric Anisotropic Stress Concentrations
… equations of equilibrium in terms of three quasi-harmonic potential functions, each of which is harmonic in a space different from the physical space. Thus, three spheroidal coordinate systems with different metric scales (one for each potential) are introduced such that the three …
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Synthesis, structure and spectroscopic investigations of luminescent heterobimetallic gold(I)-Rhodium(I) species
A novel, three-coordinate gold(I) dimer, Au2(tfepm)3Cl2 (la, lb), was synthesized and structurally characterized. Four gold(I)-rhodium(I) heterobimetallic complexes, AuIRh'(tBuNC)2(-dppm)2C12 (2), Au'Rh'(tBuNC)2(u-dmpm)2Cl2 (3), Au'Rh'(tBuNC)2(,u-tfepm)2C12 (4), and AuIRh(tBuNC)2(u-tfepma)2Cl2 (5) …
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Modeling the chemical and photophysical properties of gold complexes.
… nature of the ligands: σ-donors gave a two-coordinate, linear shape; however, σ-acceptors yielded a three-coordinate, trigonal planar geometry. Doublet AuIIL3 complexes distort to T-shape, and are thus ground state models of the corresponding triplet AuIL3. The disproportionation of AuIIL3 …
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Metals in Chemistry and Biology: Computational Chemistry Studies
… investigates the electronic properties of three transition metal (copper, chromium, and nickel) complexes and describes modeling studies performed on glutathione synthetase. (1) Copper nitrene complexes were computationally characterized, as these complexes have yet to be experimentally …
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Nickel-catalyzed reductive coupling reactions of 1,6-enynes and the total synthesis of (+)-acutiphycin
… stereospecific ligand substitution from a planar three-coordinate nickel species as a plausible explanation of regioselectivity in the nickel-catalyzed reductive coupling of aldehydes and 1,6-enynes. In the absence of a phosphine additive, high regioselectivity and high diastereoselectivity are …
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Activation of white phosphorus by molybdenum- and uranium tris-amides
… (1, Ar = 3,5-C₆H₃Me₂) acts as a source of its three-coordinate isomer Mo(N[i-Pr]Ar)₃ (2). This relationship has been probed via an investigation of the coordination chemistry of 1 and Mo(N[t-Bu]Ar)3 (3), a bulky analog of 2, with isocyanides RNC (R = 1-adamantyl, tert-butyl) and white …
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Experimental and Numerical Investigation of Tool Heating During Friction Stir Welding
… during each of the welds included forces in all three coordinate directions and internal temperature of the rotating tool at three locations near the tool/workpiece interface. The heat input to the tool was also identified for each weld using infrared imaging temperature measurement techniques …
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New carbon-nitrogen bond-forming reactions of palladium
… reductive elimination of alkylamines. Three-coordinate norbornylpalladium anilido complexes ligated by bulky monodentate N-heterocyclic carbene (NHC) ligands undergo thermal reductive elimination to generate alkylamine products. The stereochemistry of the norbornylamine product suggests …
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Syntheses, properties, and reactions of transition metal complexes of di(tert-butyl)amide and 2,2,6,6-tetramethylpiperidide
… by sublimation in static vacuum, affords the two-coordinate compounds M[N(t-Bu)2]2 (M = Mn, Fe, Co, Ni) previously reported by our group. Previous work established that the Mn and Fe compounds have linear N-M-N angles, whereas the Co and Ni compounds are bent. In addition, the Fe and Co compounds …
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Quantitative geometric model of connected carbonaceous material in mudrocks
… in effect the packing extends infinitely in all three coordinate directions. We simulate compaction of the model sediment by incrementally rescaling the vertical coordinate axis, repeating the cooperative rearrangement calculation with periodic boundaries after each increment. We determine the …
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Coordination Chemistry of Fe–S Clusters Supported by N-Heterocyclic Carbenes
… redox reactions in the biosphere while utilizing three primary building blocks: Fe²⁺, Fe³⁺, and S²⁻. Studying synthetic Fe–S clusters aids in understanding the underlying properties of Fe–S clusters that enable this reactivity by providing Fe–S clusters with unusual coordination spheres that are …
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Synthesis And Catalytic Studies Of Zinc Complexes Of Amido-Oxazolinate Ligands
… studies confirm that most of the complexes are three-coordinate and mononuclear in nature. These complexes are viable initiators for alternating copolymerization of carbon dioxide (CO2) and cyclohexene oxide (CHO), yielding moderate isotactic poly(cyclohexene carbonate) (PCHC) with good to high …
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Mechanistic studies on palladium-catalyzed coupling reactions
… kinetic data imply that the number of phosphines coordinated to the complex that reacts in the irreversible step of the oxidative addition process for complexes 1−4 depends more on the halide than on the steric properties of the ligands. The rate-limiting step of the oxidative addition of PhI …