CaY@C_2<i>n</i>: Exploring Molecular Qubits with Ca-Y Metal-Metal Bonds.

ABSTRACT: Metal-metal bonding is crucial in chemistry for advancing our understanding of the fundamental aspects of chemical bonds. Metal-metal bonds based on alkaline-earth (Ae) elements, especially the heavier Ae elements (Ca, Sr, and Ba), are rarely reported due to their high electropositivity. Herein, we report two heteronuclear di-EMFs CaY@C_s(6)-C₈₂ and CaY@C_2v(5)-C₈₀, which contain unprecedented single-electron Ca-Y metal-metal bonds. These compounds were characterized by single-crystal X-ray crystallography, electron paramagnetic resonance (EPR) spectroscopy, and DFT calculations. The crystallographic study of CaY@C_s(6)-C₈₂ shows that Ca and Y are successfully encapsulated into the carb

SUBMITTER: Qiu J 

PROVIDER: S-EPMC11555672 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature