Synthesis, spectral characterization and crystals structure of some arsane derivatives of gold (I) complexes: a comparative density functional theory study

PLoS One. 2015 Mar 23;10(3):e0119620. doi: 10.1371/journal.pone.0119620. eCollection 2015.

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Arsenates / chemistry*
  • Coordination Complexes / chemical synthesis*
  • Crystallography, X-Ray
  • Gold / chemistry*
  • Magnetic Resonance Spectroscopy*
  • Models, Molecular
  • Quantum Theory*
  • Spectroscopy, Fourier Transform Infrared
  • X-Ray Diffraction

Substances

  • Arsenates
  • Coordination Complexes
  • Gold

Grants and funding

This study was supported by the Malaysian Government and Universiti Sains Malaysia (USM) (University Research Grant 1001/PJJAUH/811225 received by OBS); the Ministry of Education Malaysia, (MyPhD Scholarship Programme received by CPG) (https://biasiswa.moe.gov.my/MyBrain15/v2/index_myphd.php); the Universiti Sains Malaysia, (Post-Doctoral Fellowship received by AT); the Universiti Sains Malaysia, (Visiting Researcher Position received by IAK); Malaysian Government and Universiti Sains Malaysia (USM) (University Research Grant 1001/PFIZIK/811160 received by HKF and MMR); the Deanship of Scientific Research at King Saud University (project No. RGP-VPP-207 received by HKF). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.