Metallophilic Au(i)⋯M(i) interactions (M = Tl, Ag) in heteronuclear complexes with 1,4,7-triazacyclononane: structural features and optical properties

Abstract

1,4,7-Triazacyclononane (TACN) has been used for the first time to support Au(I)⋯M [M = Tl(I), Ag(I)] metallophilic interactions in the formation of heteronuclear gold(I) complexes having luminescence properties. The compounds {[{Au(C₆Cl₅)₂}Tl(TACN)]₂}_n (1), [{Au(C₆F₅)₂}Tl(TACN)] (2), [{Au(C₆Cl₅)₂}Ag(TACN)] (3), and [{Au(C₆F₅)₂}{Ag(TACN)}₂Au(C₆F₅)₂] (4) have been synthesized by reacting TACN and the polymeric starting organometallic gold(I) compounds [{Au(C₆X₅)₂}M]_n (M = Ag(I), Tl(I); X = Cl, F) in a 1 : 1 molar ratio, in THF. 1, 3 and 4 have also been structurally characterized and their optical properties explained on the basis of their structural features with the support of TD-DFT calculations.