Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5412814 | Journal of Molecular Liquids | 2011 | 4 Pages |
Abstract
Gold cyanides are widely used in chemical processes involving this coin metal since they are stable and soluble under a wide range of conditions. Nitromethane (NM) is the most widely used solvent for ionic complexes of Au. We have performed extensive quantum chemical calculations on Au(CN)2NMnâ clusters with n = 1-10. For smaller values of n (< 6), geometries with NM coordinating to the nitrogen atoms at both ends of the linear anion are the most stable ones while for higher values of n a geometrical pattern with chains or rings of NM molecules becomes competitive. We also analyze the electrostatic potentials of NM and Au(CN)2â and the electronic structure of the anion.
Related Topics
Physical Sciences and Engineering
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Physical and Theoretical Chemistry
Authors
Natcha Injan, Tünde Megyes, Tamas Radnai, Imre Bako, Szabolcz Balint, Jumras Limtrakul, Michael Probst,