100. Qun-Yan Wu, Jian-Hui Lan, Cong-Zhi Wang, Zhong-Ping Cheng, Zhi-Fang Chai, John K. Gibson, Wei-Qun Shi*. Paving the way for the synthesis of a series of divalent actinide complexes: A theoretical perspective.
Dalton Trans. 2016, accepted.
A series of divalent actinide species were systematically studied to identify the interactions between the +2 actinide ions and Cp' ligands. It was found that the total bonding energy decreases from the Th- to the Am- complex and the electrostatic interactions mainly dominate the bonding between the actinide atom and ligands. The electron affinity analysis suggests that the reduction reaction of AnCp'3 to [AnCp'3]- should become increasingly facile across the actinide series.
