ThC2@C82versusTh@C84: unexpected formation of triangular thorium carbide cluster inside fullerenes

Abstract

The first thorium-containing cluster fullerenes, ThC2@Cs(6)–C82and ThC2@C2(5)–C82, were synthesized and characterized. ThC2clusters in both C82cages feature a novel bonding structure with thorium metal and CC forming an isosceles triangular configuration.

Document Details

• Document Type: Pub Defense Publication
• Publication Date: Jan 01, 2022
• Source ID: 10.1039/d2sc04846a

Entities

People

• Jochen Autschbach
• Ning Chen
• Qingyu Meng
• Xiaojuan Yu
• Yang-Rong Yao
• Yi Shen

Organizations

• National Natural Science Foundation of China
• Natural Science Foundation of Jiangsu Province
• Soochow University
• United States Department of Energy
• University at Buffalo

Tags

Readers

• Finite Element Method (FEM) for solving Partial Differential Equations (PDEs)
• Nuclear and Radiation Engineering.
• Quantum Chemistry