Actinide (An = Th–Pu) dimetallocenes: promising candidates for metal–metal multiple bonds

Author:

Wang Cong-Zhi12345,Gibson John K.6789,Lan Jian-Hui12345,Wu Qun-Yan12345,Zhao Yu-Liang12345,Li Jun1011125,Chai Zhi-Fang12345,Shi Wei-Qun12345

Affiliation:

1. Laboratory of Nuclear Energy Chemistry and Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety

2. Institute of High Energy Physics

3. Chinese Academy of Sciences

4. Beijing 100049

5. China

6. Chemical Sciences Division

7. Lawrence Berkeley National Laboratory

8. Berkeley

9. USA

10. Department of Chemistry and Key Laboratory of Organic Optoelectronics and Molecular Engineering of the Ministry of Education

11. Tsinghua University

12. Beijing 100084

Abstract

Density Functional Theory (DFT) calculations on the actinide dimetallocenes An2Cp*2 (Cp* = C5(CH3)5, An = Th–Pu) reveal the nature of actinide–actinide multiple bonding in these species.

Funder

China Postdoctoral Science Foundation

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

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