Penta- and heteropentadienyl ligands coordinated to beryllium
Sharity Morales-Meza1, M Esther Sanchez-Castro, Mario Sanchez
1Centro de Investigación en Materiales Avanzados, S. C. Alianza Norte 202, PIIT. Carretera Monterrey-Aeropuerto Km. 10, Apodaca, NL, 66600, Mexico.
Abstract:
In this work we have performed a systematic study of new organometallic complexes containing penta- and heteropentadienyl (CH2CHCHCHX, X = CH2, O, NH, S) ligands coordinated to beryllium. Calculated complexes were studied using the density functional theory (PBE) in combination with the 6-311++G(3d,2p) basis set. The coordination number on the beryllium atom varies according to the type of ligand. Pentadienyl ligand shows hapticities η(1) and η(5), while heteropentadienyl ligands display η(1) and η(2) hapticities. A Wiberg bond indices study was performed in order to get information about their bond orders.
More Related Videos
07:20Amide Coupling Reaction for the Synthesis of Bispyridine-based Ligands and Their Complexation to Platinum as Dinuclear Anticancer Agents
Published on: May 28, 2014
10:52Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
Published on: July 27, 2022
Related Concept Videos
Metal-Ligand Bonds
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
Valence Bond Theory
Hybridization of Atomic Orbitals I
π Molecular Orbitals of 1,3-Butadiene
The simplest conjugated diene is 1,3-butadiene: a four-carbon system where each carbon is sp2-hybridized and has an unhybridized p orbital that contains an unpaired electron. According to molecular orbital theory, atomic orbitals combine to form molecular orbitals such that the...
Coordination Number and Geometry
Complexation Equilibria: The Chelate Effect
