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Updated: May 10, 2026

Synthesis and Catalytic Performance of Gold Intercalated in the Walls of Mesoporous Silica
Published on: July 9, 2015
Different solvates of the dinuclear cyclometallated gold(I) complex [Au2(μ-2-C6H4AsMe2)2]: a computational study
Nedaossadat Mirzadeh1, Daniel W Drumm, Jörg Wagler
1Centre for Advanced Materials & Industrial Chemistry, School of Applied Sciences, RMIT University, GPO Box 2476V, Melbourne, Victoria 3001, Australia. suresh.bhargava@rmit.edu.au.
Abstract:
Two solvates of an arsena-aura-metallocyclic molecule, which, apart from the different solvents, have the same molecular stoichiometry, display different optical properties. We develop an ab initio model, benchmarked against X-ray diffraction experiment, to explore the possible causes of this change in behavior. We study the bonding and electronic properties of the crystals, their local environments, and consider possible effects of the solvents used for crystallization.
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Transition metal complexes often exist as geometric isomers, in which the same atoms are connected through the same types of bonds but with differences in their orientation in space. Coordination complexes with two different ligands in the cis and trans positions from a ligand of interest form isomers. For example, the octahedral [Co(NH3)4Cl2]+ ion has two isomers (Figure 1) In the cis...