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Group 10 Metal Benzene-1,2-dithiolate Derivatives in the Synthesis of Coordination Polymers Containing Potassium Countercations.

Oscar CastilloEsther DelgadoCarlos J Gómez-GarcíaDiego HernándezElisa HernándezAvelino MartínJosé I MartínezFelix Zamora
Published in: Inorganic chemistry (2017)
The use of theoretical calculations has allowed us to predict the coordination behavior of dithiolene [M(SC6H4S)2]2- (M = Ni, Pd, Pt) entities, giving rise to the first organometallic polymers {[K2(μ-H2O)2][Ni(SC6H4S)2]}n and {[K2(μ-H2O)2(thf)]2[K2(μ-H2O)2(thf)2][Pd3(SC6H4S)6]}n by one-pot reactions of the corresponding d10 metal salts, 1,2-benzenedithiolene, and KOH. The polymers are based on σ,π interactions between potassium atoms and [M(SC6H4S)2]2- (M = Ni, Pd) entities. In contrast, only σ interactions are observed when the analogous platinum derivative is used instead, yielding the coordination polymer {[K2(μ-thf)2][Pt(SC6H4S)2]}n.
Keyphrases
  • magnetic resonance
  • metal organic framework
  • magnetic resonance imaging
  • transition metal
  • density functional theory
  • molecular dynamics
  • molecular dynamics simulations
  • computed tomography
  • monte carlo