Abstract

Hydrogen bonding and metallophilic attractions are studied in the model systems: [(AuNH 3Cl) 2], [(AuNH(CH 3) 2Cl) 2], [{Au 2(μ-SH)(PH 2O)(PH 2OH)} 2], [(CuNH 3Cl) 2], and [{Cu(NH 3)Cl) 4] at the Hartree-Fock (HF) and second-order MøllerPlesset (MP2) levels. The two interactions are found to be comparable and prevailing in the final structure. It is determined that the aurophilic contact has a same magnitude that the hydrogen bonding, and is stronger than the cuprophilic interaction. The presence of hydrogen bond directs the growth of the crystal. © 2005 Wiley Periodicals. Inc.