Different solvates of the dinuclear cyclometallated gold(I) complex [Au2(μ-2-C6H4AsMe2)2]: a computational study insight into solvent-effected optical properties.

@article{Mirzadeh2013DifferentSO,
  title={Different solvates of the dinuclear cyclometallated gold(I) complex [Au2(μ-2-C6H4AsMe2)2]: a computational study insight into solvent-effected optical properties.},
  author={Nedaossadat Mirzadeh and Daniel W. Drumm and J{\"o}rg Wagler and Salvy P. Russo and Suresh Chandra Bhargava},
  journal={Dalton transactions},
  year={2013},
  volume={42 36},
  pages={12883-90}
}
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… CONTINUE READING