Polyoxoplatinates as covalently dynamic electron sponges and molecular electronics materials.

ABSTRACT: In organic systems, dynamic covalent chemistry provides an adaptive approach (i.e., "covalent dynamics") where thermodynamic equilibria are used to tailor structural and electronic changes in molecular assemblies. The covalent dynamics finds utility in the design of novel self-healing materials, sensors, and actuators. Herein, using density functional theory (DFT) we explore the structural, electronic and transport properties of the Pt-based polyoxometalate (POM) [Pt^III ₁₂O₈(SO₄)₁₂]^4- and its derivatives. The latter POM has six redox responsive {O-Pt-Pt-O} moieties and prospects for storage of up to twelve electrons, thus exemplifying how dynamic covalent chemistry may manifest itself in fully inorganic systems. Simul

SUBMITTER: Kondinski A 

PROVIDER: S-EPMC9417413 | biostudies-literature | 2021 Sep

REPOSITORIES: biostudies-literature