Journal
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
Volume 26, Issue 2, Pages -Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/ejic.202200668
Keywords
Fluorido complexes; Gold; Halogen bonds; Hydrogen bonds; Hydrogen fluoride
Categories
Ask authors/readers for more resources
The hydrogen bonding in the Au(I) complex [Au(F . HF)(SPhos)] has been analyzed by IR and NMR measurements and confirmed by DFT calculations. Comparisons to complexes with NHC ligands showed similar bonding situations. Single crystal X-ray diffraction studies demonstrated the presence of halogen bonds to Au(I) fluorido complexes in the solid state.
The hydrogen bonding in the Au(I) complex [Au(F . HF)(SPhos)] (SPhos=dicyclohexyl(2',6'-dimethoxy[1,1'-biphenyl]-2-yl)phosphane) (1 a . HF) has been analysed by IR and NMR measurements, revealing the formation of an unsymmetrical bifluoride moiety. The data are in excellent agreement with DFT calculations. Comparisons to analogous complexes bearing NHC (NHC=N-heterocyclic carbene) ligands demonstrated a comparable bonding situation. The identity of the halogen bond in the compound [Au(F . IC6F5)(SPhos)] (1 a . IC6F5) in CD2Cl2 has been estimated, and van't Hoff data for the equilibrium between [Au(F)(SPhos)] (1 a) and IC6F5 with [Au(F . IC6F5)(SPhos)] are Delta H-0=-8.1(3) kJ mol(-1) and Delta S-0=-36(1) J (mol K)(-1). The latter are also in agreement with DFT calculations. For all calculations, comparisons between an explicit and implicit solvent model were drawn. Single crystal X-ray diffraction studies were performed for [Au(F . 2IC(6)F(5))(BrettPhos)] . 2IC(6)F(5) (BrettPhos=2-(dicyclohexylphosphino)-3,6-dimethoxy-2',4',6'-triisopropyl-1,1'-biphenyl) (1 b . 4IC(6)F(5)) demonstrating the presence of halogen bonds to Au(I) fluorido complexes in the solid state.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available