Multiconfigurational actinide nitrides assisted by double Möbius aromaticity

Author:

Lin Xuhui1ORCID,Lu Xiaoli2,Tang Shenghui2,Wu Wei3,Mo Yirong4ORCID

Affiliation:

1. School of Physics, Central South University, Changsha, Hunan 410083, China

2. School of Chemistry, Southwest Jiaotong University, Chengdu, Sichuan 610031, China

3. The State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry and College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, Fujian 361005, China

4. Department of Nanoscience, Joint School of Nanoscience and Nanoengineering, University of North Carolina at Greensboro, Greensboro, NC 27401, USA

Abstract

Actinide nitride An2N2 (An = U, Pa, Th and Ac) clusters were characterized by a new family of double Möbius aromaticity, which enables unpaired electrons spin-freely to localize on actinides or form chemical bonds with ligands.

Funder

National Science Foundation

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

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