A “gold standard” computational proof for the existence of gold(<scp>iii</scp>) aurophilicity
Daniel Blasco, Félix Reboiro, Dage Sundholm, M. Elena Olmos, Miguel Monge, José M. López‐de‐Luzuriaga
Abstract
“Gold standard” calculations for gold( iii ) interactions: a stabilizing interaction between the gold( iii ) atoms of molecule [Au III (CH 3 ) 3 (NH 3 )] 2 is found at the CCSD(T)/def2-TZVP level of theory.
Topics & Concepts
Gold standard (test)ChemistryMathematicsStatisticsMagnetism in coordination complexesMetal complexes synthesis and propertiesLanthanide and Transition Metal Complexes