| Abstract: | Hydrogen bonding and metallophilic attractions are studied in the model systems: (AuNH3Cl)2], (AuNH(CH3)2Cl)2], {Au2(μ‐SH)(PH2O)(PH2OH)}2], (CuNH3Cl)2], and {Cu(NH3)Cl}4] at the Hartree–Fock (HF) and second‐order Møller–Plesset (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. Int J Quantum Chem, 2006 |
