© 2015 Elsevier B.V.The inter- and intramolecular aurophilic [ClAuPH3]2, [S(AuPH3)2] and [AuPH3]42+ interactions were studied using ab initio post-Hartree-Fock and DFT methodologies. The post-Hartree-Fock methods provide ...

The inter- and intramolecular aurophilic [ClAuPH3]2, [S(AuPH3)2] and [AuPH3]4 2+ interactions were studied using ab initio post-Hartree–Fock and DFT methodologies. The post-Hartree–Fock methods provide results closer ...

The reaction of gold with thiosaccharin ligand and additional phosphorous coligands is studied. Four new Au(I) complexes with thiosaccharinate as coordinating counteranion: [Au(tsac)(PPh3)], [Au2(tsac) 2(dppm)]·EtOH, ...

The coexistence of gold-gold contacts and hydrogen bonding is studied in the model system [H2P(OH)AuCl]2 and [H2P(OH)AuPH2(O)]2. The two interactions are found to be comparable. The possible non-additivity of the aurophilic, ...

The aurophilic attraction and the spectroscopic properties of [AU(3)(MeN=COMe)(3)](n) (n = 1-4) were studied at the MP2 and density functional theory (B3LYP and PBE) levels. Theoretical calculations at the MP2 level are ...

The understanding of closed-shell interactions has become of tremendous relevance in the ever-growing field of supramolecular chemistry. Here, we present a theoretical study in which we characterised the intermolecular ...

The uses of the sulfur-gold bond in the design of new molecular clusters have gained increasing attention in recent years. Their size and shape are diverse providing a wide variety of optical and electronic properties. ...

Model compounds are used to study the aurophilic attraction among gold atoms in the different oxidation states Au(i)-Au(i), Au(i)-Au(iii) and Au(iii)-Au(iii). An attraction is found for all models and there is a reasonable ...