Journal ArticleDOI
The Dichotomy of Dimetallocenes: Coaxial versus Perpendicular Dimetal Units in Sandwich Compounds
TLDR
Theoretical studies of the dimetallocene (eta5-C5H5)2Zn2 lead to optimized D5h or D5d structures in which the Zn-Zn bond is coaxial with the C5 axes of the two Cp rings, but DFT computations on these structures lead to a totally different type of optimized structure (Ci symmetry) lying at significantly lower energies.Abstract:
Theoretical studies of the dimetallocene (η5-C5H5)2Zn2 lead to optimized D5h or D5d structures in which the Zn−Zn bond is coaxial with the C5 axes of the two Cp rings, with a Zn−Zn distance of 2.33 A, corresponding to a Zn−Zn single bond. (η5-C5H5)2Ni2 (singlet state) and (η5-C5H5)2Cu2 (triplet) have similar structures with a Ni⋮Ni triple bond (2.06 A) and a CuCu double bond (2.22 A). However, DFT computations on (C5H5)2Ni2 and (C5H5)2Cu2 (both singlet states) lead to a totally different type of optimized structure (Ci symmetry) lying at significantly lower energies, with the metal−metal bonds perpendicular to the C5 axes of the Cp rings.read more
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Zinc−Zinc Bonded Zincocene Structures. Synthesis and Characterization of Zn2(η5-C5Me5)2 and Zn2(η5-C5Me4Et)2
Abdessamad Grirrane,Irene Resa,Amor Rodríguez,Ernesto Carmona,Eleuterio Álvarez,Enrique Gutiérrez-Puebla,M. Angeles Monge,Agustín Galindo,Diego del Río,Richard A. Andersen +9 more
TL;DR: An improved, large scale synthesis of dizincocene 1 has been achieved by reduction of equimolar mixtures of Zn(C5Me5)2 and ZnCl2 with KH in tetrahydrofuran and the isotopically labeled dimetallocene 68Zn2(eta5-C5 me4R)ZnR', and the related compound Zn2
Journal ArticleDOI
A Zinc–Zinc‐Bonded Compound and Its Derivatives Bridged by One or Two Hydrogen Atoms: A New Type of ZnZn Bonding
Zhongliang Zhu,Robert J. Wright,Marilyn M. Olmstead,Eric Rivard,Marcin Brynda,Philip P. Power +5 more
Journal ArticleDOI
Multimetallocenes. A Theoretical Study
TL;DR: In this article, the authors used gradient-corrected density functional theory at the BP86 level in conjunction with TZ2P basis sets for the multimetallocenes CpMnCp, where M = Be, Mg, Ca, and Zn with n = 2−5.
Journal ArticleDOI
Direct bonds between metal atoms: Zn, Cd, and Hg compounds with metal-metal bonds.
Ernesto Carmona,Agustín Galindo +1 more
TL;DR: The existence of two directly bonded zinc atoms demonstrates that the [Zn-Zn](2+) unit, the lightest Group 12 homologue of the well-known [Hg-Hg]-2+) ion, can be stabilized by appropriate ligands.
Journal ArticleDOI
Metal–Metal (MM) Bond Distances and Bond Orders in Binuclear Metal Complexes of the First Row Transition Metals Titanium Through Zinc
TL;DR: This survey of metal-metal (MM) bond distances in binuclear complexes of the first row 3d-block elements reviews experimental and computational research on a wide range of such systems and proposes for the first time the ranges and "best" estimates for MM bond distances of all types.