Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study

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 cry...

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Published inPloS one Vol. 10; no. 3; p. e0119620
Main Authors Shawkataly, Omar bin, Goh, Chin-Ping, Tariq, Abu, Khan, Imthyaz Ahmad, Fun, Hoong-Kun, Rosli, Mohd Mustaqim
Format Journal Article
LanguageEnglish
Published United States Public Library of Science 23.03.2015
Public Library of Science (PLoS)
Subjects
Arsenates - chemistry
Arsenic
Chemical properties
Chemistry
Chlorine
Comparative analysis
Coordination Complexes - chemical synthesis
Crystal structure
Crystallography
Crystallography, X-Ray
Crystals
Density functional theory
Distance learning
Education
Electronegativity
Ethane
Gold
Gold - chemistry
Ligands
Magnetic Resonance Spectroscopy
Models, Molecular
NMR spectroscopy
Nuclear magnetic resonance spectroscopy
Quantum Theory
Relativism
Single crystals
Spectroscopy
Spectroscopy, Fourier Transform Infrared
Structural analysis
Studies
X-ray crystallography
X-Ray Diffraction
Penang Malaysia
Malaysia
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Summary: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.
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Conceived and designed the experiments: ObS CPG AT IAK. Performed the experiments: CPG AT MMR. Analyzed the data: ObS CPG AT IAK HKF MMR. Contributed reagents/materials/analysis tools: ObS HKF. Wrote the paper: ObS CPG AT HKF.
Competing Interests: The authors have declared that no competing interests exist.
ISSN:1932-6203
1932-6203
DOI:10.1371/journal.pone.0119620