title: Synthesis, spectral characterization and crystals structure of some arsane derivatives of gold (I) complexes: a comparative density functional theory study.
abstract: A series of complexes of the type LAuCl where L = tris(p-tolylarsane), tris(m-tolylarsane), bis(diphenylarsano)ethane, and tris(naphthyl)arsane have been synthesized. All of the new complexes, 1-4, have been fully characterized by means of ¹H NMR and ¹³C NMR spectroscopy and single crystal X-ray crystallography. The structures of complexes 1-4 have been determined from X-ray diffraction data. The linear molecules have an average bond distance between gold-arsenic and gold-chlorine of 2.3390Å and 2.2846Å, respectively. Aurophilic interaction was prominent in complex 1 and 3, whereas complex 2 and 4 do not show any such interaction. The intermolecular gold interaction bond length was affected by the electronegativity of the molecule. The computed values calculated at DFT level using B3LYP function are in good agreement with the experimental results.
authors: Chemical Sciences Programme, School of Distance Education, Universiti Sains Malaysia, 11800, Penang, Malaysia.
authors: Omar Bin
authors: OB
authors: Shawkataly
authors: Chemical Sciences Programme, School of Distance Education, Universiti Sains Malaysia, 11800, Penang, Malaysia.
authors: Chin-Ping
authors: CP
authors: Goh
authors: Chemical Sciences Programme, School of Distance Education, Universiti Sains Malaysia, 11800, Penang, Malaysia.
authors: Abu
authors: A
authors: Tariq
authors: Chemical Sciences Programme, School of Distance Education, Universiti Sains Malaysia, 11800, Penang, Malaysia.
authors: Imthyaz Ahmad
authors: IA
authors: Khan
authors: X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800, Penang, Malaysia; Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh, 11451, Kingdom of Saudi Arabia.
authors: Hoong-Kun
authors: HK
authors: Fun
authors: X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800, Penang, Malaysia.
authors: Mohd Mustaqim
authors: MM
authors: Rosli
mesh_terms: D001149:Arsenates / Q000737:chemistry*; D056831:Coordination Complexes / Q000138:chemical synthesis*; D018360:Crystallography, X-Ray; D006046:Gold / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D011789:Quantum Theory; D017550:Spectroscopy, Fourier Transform Infrared; D014961:X-Ray Diffraction
chemical_list: D001149:Arsenates; D056831:Coordination Complexes; D006046:Gold