期刊论文、会议论文

Shi, Wei-Qun

英文

JOURNAL OF PHYSICAL CHEMISTRY A

1089-5639

2018

122

18

4499-4507

18th Meeting on Time-Resolved Vibrational Spectroscopy (TRVS)

2017

Cambridge, ENGLAND

[Kong, Xiang-He;Wu, Qun-Yan;Wang, Cong-Zhi;Lan, Jian-Hui;Chai, Zhi-Fang;Shi, Wei-Qun] Chinese Acad Sci, Inst High Energy Phys, Lab Nucl Energy Chem, Beijing 100049, Peoples R China.^[Kong, Xiang-He;Nie, Chang-Ming] Univ South China, Sch Nucl Resources Engn, Hengyang 421001, Peoples R China.^[Chai, Zhi-Fang] Soochow Univ, Sch Radiol & Interdisciplinary Sci RAD X, Suzhou 215123, Peoples R China.^[Chai, Zhi-Fang] Soochow Univ, Collaborat Innovat Ctr Radiat Med Jiangsu Higher, Suzhou 215123, Peoples R China.

1155 16TH ST, NW, WASHINGTON, DC 20036 USA

AMER CHEMICAL SOC

10.1021/acs.jpca.8b00177

National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21477130, 21471152, 21577144]; Major Program of National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21790373]; Science Challenge Project [JCKY2016212A504]; Program of Innovative Research for Postgraduate of Hunan Province [CX2016B439]

本校为其他机构

Separation of trivalent actinides (An(III)) and lanthanides (Ln(III)) is one of the most important steps in spent nuclear fuel reprocessing. However, it is very difficult and challenging to separate them due to their similar chemical properties. Recently the pyridylpyrazole ligand (PypzH) has been identified to show good separation ability toward Am(III) over Eu(III). In this work, to explore the Am(III)/Eu(III) separation mechanism of PypzH at the molecular level, the geometrical structures, bonding nature, and thermodynamic behaviors of the Am(III) and Eu(III) complexes with PypzH ligands mo...