Intra- and Interchain Interactions in (Cu_1/2Au_1/2)CN, (Ag_1/2Au_1/2)CN, and (Cu_1/3Ag_1/3Au_1/3)CN and Their Effect on One-, Two-, and Three-Dimensional Order.

ABSTRACT: Mixed-metal cyanides (Cu_1/2Au_1/2)CN, (Ag_1/2Au_1/2)CN, and (Cu_1/3Ag_1/3Au_1/3)CN adopt an AuCN-type structure in which metal-cyanide chains pack on a hexagonal lattice with metal atoms arranged in sheets. The interactions between and within the metal-cyanide chains are investigated using density functional theory (DFT) calculations, ¹³C solid-state NMR (SSNMR), and X-ray pair distribution function (PDF) measurements. Long-range metal and cyanide order is found within the chains: (-Cu-NC-Au-CN-)_∞, (-Ag-NC-Au-CN-)_∞, and (-Cu-NC-Ag-NC-Au-CN-)_∞. Although Bragg diffraction studies establish that there is no long-range order between chains, X-ray PDF results show that there is loc

SUBMITTER: Hibble SJ 

PROVIDER: S-EPMC7458429 | biostudies-literature | 2020 Aug

REPOSITORIES: biostudies-literature