On the bonding in transition-metal compounds: A comparison of LDF and HF results for Ni(CO)4

Ni(CO)4 - A test of the Hartree-Fock app

Ni(CO)4 - A test of the Hartree-Fock approximation for transition-metal compounds

✍ K. Fægri Jr.; J. Almlöf 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 431 KB

Thegeometry of Ni(CO), has been optimized with basis sets of varying size, the larger ones being of near-Haruee-Fock quaIity.The best basis sets give a metal-&and bond distance 0.097 .S longer than experiment. Relativistic corrections have been obtained at the level of first-order pertubation theory

ChemInform Abstract: Bonding Situation i

ChemInform Abstract: Bonding Situation in “Early-Late” Transition Metal Complexes Cl3M—M′(PCl3)4 (M: Ti, Zr, Hf; M′: Co, Rh, Ir) —Theoretical Study for a Ligand Fine Tuning of M—M′ Bonds

✍ Nozomi Takagi; Andreas Krapp; Gernot Frenking 📂 Article 📅 2011 🏛 John Wiley and Sons ⚖ 18 KB 👁 2 views

Catalytic Cross-Coupling Reaction of Est

Catalytic Cross-Coupling Reaction of Esters with Organoboron Compounds and Decarbonylative Reduction of Esters with HCOONH4: A New Route to Acyl Transition Metal Complexes Through the Cleavage of Acyl—-Oxygen Bonds in Esters.

✍ Hiroto Tatamidani; Kazuhiko Yokota; Fumitoshi Kakiuchi; Naoto Chatani 📂 Article 📅 2004 🏛 John Wiley and Sons ⚖ 28 KB 👁 2 views

Catalytic Cross-Coupling Reaction of Est

Catalytic Cross-Coupling Reaction of Esters with Organoboron Compounds and Decarbonylative Reduction of Esters with HCOONH4: A New Route to Acyl Transition Metal Complexes Through the Cleavage of Acyl—-Oxygen Bonds in Esters.

✍ Hiroto Tatamidani; Kazuhiko Yokota; Fumitoshi Kakiuchi; Naoto Chatani 📂 Article 📅 2004 🏛 John Wiley and Sons ⚖ 33 KB 👁 2 views

ChemInform Abstract: Synthesis and Cryst

ChemInform Abstract: Synthesis and Crystal Structures of Two Novel Niobium Oxo-Selenides: K4Nb2Se11O (IVa) Consisting of Infinite Anionic Chains and Cs4Nb2Se11O (IVb) Being the First Example for the Coexistence of Molecular and Infinite Chainlike Transition Metal Polychalcogenide Anions in One Compound.

✍ P. DUERICHEN; O. KRAUSE; W. BENSCH 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 40 KB 👁 2 views

A Variety of Different Occupancies in Is

A Variety of Different Occupancies in Isotypic Compounds: Ternary Antimonides and Bismuthides with the Ideal Formulas T5T′Sb3 and T5T′Bi3 (T = Ti, Zr, Hf; T′ = Late Transition Metals) and the Binary Antimonide Ti4.80Sb3.29, all Crystallizing with “Filled” Mn5Si3 (Hf5CuSn3) Type Structure and Structure Refinement of Ti5Sb2.85 with β-Yb5Sb3 Type Structure

✍ Joachim W. Kaiser; Martin G. Haase; Wolfgang Jeitschko 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 German ⚖ 167 KB 👁 3 views

Fourteen new binary and ternary compounds are reported. The ternary antimonides Ti 5 T 'Sb 3 (T ' = Co, Ni, Zn, Ru, Rh, Pd, Pt), T 5 T 'Sb 3 (T = Zr, Hf; T ' = Pd, Pt) and the bismuthides Ti 5 CuBi 3 and Ti 5 ZnBi 3 were synthesized by reaction of the elemental components at high temperatures. They