Producción Científica Profesorado

Experimental and theoretical studies of C-H...M interactions in palladium and platinum complexes derived from 1,2-bis-(2-hydroxymethylphenylthio)ethane



Andrade López, Noemí

2015

Experimental and theoretical studies of C-H...M interactions in palladium and platinum complexes derived from 1,2-bis-(2-hydroxymethylphenylthio)ethane. Simplicio González-Montiel*, Diego Martínez-Otero, Noemí Andrade-López, José G. Alvarado-Rodríguez, Manuel Carmona-Pichardo, Julián Cruz-Borbolla, Thangarasu Pandiyan, Leslie W. Pineda. Polyhedron, 87 (2015) 181-193doi:10.1016j.poly.2014.11.007


Abstract


The molecular structures of several related cis-[?2-SS-(L)MHal2] compounds 1, 1DMSO, 2, 2H2O, 3DMSO, 4 and 5 where L = HOCH2Ph-S-CH2-CH2-S-PhCH2OH, M = Pd or Pt, and Hal = Cl or Br or I, were analyzed by single crystal X-ray diffraction analyses. In all complexes, the presence of intramolecular C?H?M (M = Pd or Pt) interactions with distance values of 2.687?2.914 Å was established. In solid state both syn- or anti-conformers exist; this suggests that one or two ortho-hydrogen atoms on the phenyl rings are close to the metal. Furthermore, the existence of these weak interactions induce a significant effect on the geometry adopted by the metal center. The crystal structures show a wide variety of intermolecular noncovalent bonding such as hydrogen bonds, M?M contacts, ?-?, C?H?? and Hal?? interactions. For all the complexes, the structural analysis performed by Density Functional Theory (DFT) is in good agreement with parametric data obtained from X-ray measurements. Topological analyses of the electron density function [?(r)], which have been performed according to Bader?s Atoms in Molecules theory, reveal bond critical points relating the metal atom with aromatic ortho-hydrogen atoms. Laplacian ?2?(r) and density ?(r) values indicate formation of the weak anagostic C?H?M interactions.



Producto de Investigación




Artículos relacionados

Pentacoordination at Germanium by Transannular Bonding of Sulfur or Oxygen in an Eight-Membered Ring...

Synthesis, characterization, and crystal structures of n-alkyldiorganodithiophosphates RS2P(OC6H4)2

Organometallic tin complexes derived from 2-guanidinobenzimidazole

Synthesis, Characterisation and Properties of As-Monohalogenated Dibenzoarsocines S(C6H4S)2AsHal (Ha...

Understanding and Predicting Distorted T- versus Y-Geometries for Neutral Chromous Complexes Support...

Synthesis and structural characterization of bis-chelate Pd(II) complexes derived from substituted d...

Pentacoordination at Germanium by Transannular Bonding of Sulfur or Oxygen in an Eight-Membered Ring...

Versatile behavior of 2-guanidinobenzimidazole nitrogen atoms toward protonation, coordination and m...

Hypervalence at tin(IV) by transannular bonding of sulfur in an eight-membered ring: The case of dib...

Hypervalence at tin(IV) by transannular bonding of sulfur in an eight-membered ring: The case of dib...