화학공학소재연구정보센터
Chemical Physics Letters, Vol.709, 11-15, 2018
Theoretical modeling of argentophilic interactions in [Ag(CN)(2)(-)](3) trimer found in a copper(II) complex of cis-1,2-diaminocyclohexane (Dach), [Cu (Dach)(2)-Ag(CN)(2)-Cu(Dach)(2)][Ag(CN)(2)](3)
Crystal structure study of a copper(II) complex of cis-1,2-diaminocyclohexane (Dach), [Cu(Dach)(2)-Ag(CN)(2)-Cu (Dach)(2)][Ag(CN)(2)](3) (1) reveals the presence of unsupported Ag center dot center dot center dot Ag center dot center dot center dot Ag interactions with the interatomic Ag center dot center dot center dot Ag distance of 3.230 angstrom. Detailed HF, MP2 and BLYP-D3 theoretical investigations of [Ag(CN)(2)(-)](3) trimer, together with AIM, NCI and EDA analyses verified these interactions as noncovalent Ag-Ag bonds with the magnitude of a weak hydrogen bond, mainly electrostatically and dispersively driven.