Synthesis, spectral characterization and crystals structure of some arsane derivatives of gold (I) complexes: a comparative density functional theory study.
other · Level V
Where this comes from
- Record sourced from PubMed, PMID 25798915.
- Also identified by DOI 10.1371/journal.pone.0119620 and PMC identifier 4370652.
- Licence recorded as CC BY.
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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.
Medical subject headings
- Arsenates
- Coordination Complexes
- Gold
- Magnetic Resonance Spectroscopy
- Quantum Theory