Three Iodoargentate-Based Hybrids Decorated by Metal Complexes: Structures, Optical/Photoelectric Properties and Theoretical Studies.

ABSTRACT: So far, the development of new iodoargentate-based hybrids, especially those compounds with metal complex cations, and the understanding of their structure-activity relationships have been of vital importance but full of challenges. Herein, using the in-situ-generated metal complex cations as structural directing agents, three new iodoargentate-based hybrids, namely, [Co(phen)₃]Ag₂PbI₆ (phen = 1,10-phenanthroline; 1), [Ni(5,5-dmpy)₃]Ag₇I₉·CH₃CN (5,5-dmpy = 5,5-dimethyl-2,2-bipyridine; 2) and [Co(5,5-dmpy)₃]Ag₅I₈ (3), have been solvothermally prepared and then structurally characterized. Compound 1 represents one new heterometallic Ag-Pb-I compound characteristic of the chain-like [Ag₂PbI₆]_n^2n- anions. Compound 2 features the straight one-dimensional (1D) [Ag₇I₉]_n^2n- anionic moieties, while compound 3 contains infrequent two types of curved [Ag₅I₈]_n^3n- anions. Optical properties reveal that the title compounds exhibit interesting semiconductor behaviors with the band gaps of 1.59-2.78 eV, which endow them with good photoelectric switching performances under the alternate light irradiations. We also present their Hirshfeld surface analyses, and the theoretical studies (band structures, density of states (DOS) and partial density of states (PDOS)).

SUBMITTER: Liu M 

PROVIDER: S-EPMC10458760 | biostudies-literature | 2023 Aug

REPOSITORIES: biostudies-literature