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Alkali Metal Covalent Bonding in Nickel Carbonyl Complexes ENi(CO)3.

Chaoxian ChiSudip PanLuyan MengMingbiao LuoLili ZhaoMingfei ZhouGernot Frenking
Published in: Angewandte Chemie (International ed. in English) (2019)
The alkali metal-nickel carbonyl anions ENi(CO)3 - with E=Li, Na, K, Rb, Cs have been produced and characterized by mass-selected infrared photodissociation spectroscopy in the gas phase. The molecules are the first examples of 18-electron transition metal complexes with alkali atoms as covalently bonded ligands. The calculated equilibrium structures possess C3v geometry, where the alkali atom is located above a nearly planar Ni(CO)3 - fragment. The analysis of the electronic structure reveals a peculiar bonding situation where the alkali atom is covalently bonded not only to Ni but also to the carbon atoms.
Keyphrases
  • transition metal
  • molecular dynamics
  • metal organic framework
  • reduced graphene oxide
  • single molecule
  • molecular dynamics simulations
  • electron transfer
  • gold nanoparticles
  • carbon nanotubes