Mechanochemical Synthesis, Characterization and Reactivity of a Room Temperature Stable Calcium Electride.

ABSTRACT: A new calcium-based Room temperature Stable Electride (RoSE), K[{Ca[N(Mes)(SiMe₃)]₃(e^-)}₂K₃] (2), is successfully synthesized from the reaction of a calcium tris-amide, [Ca{N(Mes)(SiMe₃)}₃K] (1) (Mes = 2,4,6-trimethylphenyl), with potassium under mechanochemical treatment. The dimeric structure of K[{Ca[N(Mes)(SiMe₃)]₃(e^-)}₂K₃] is calculated using ab initio random structure searching (AIRSS) methods. This shows the existence of highly localized anionic electrons (e^-) and suggests poor electrical conductance, as confirmed via electroconductivity measurements. The two anionic electrons in

SUBMITTER: Bowles AWJ 

PROVIDER: S-EPMC11503782 | biostudies-literature | 2024 Oct

REPOSITORIES: biostudies-literature