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In-depth investigation into the binding capabilities of palladium-based N-heterocyclic carbenes towards five heavy metals: Hg, Cd, Pb, Cr, and As

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成果类型:
期刊论文
作者:
Liu, Qiao;Kong, Xianghe;Li, Qian Ru*;Lan, Wenbo
通讯作者:
Li, Qian Ru;Lan, WB
作者机构:
[Liu, Qiao] Xiangnan Univ, Sch Chem Biol & Environm Engn, Chenzhou, Hunan, Peoples R China.
[Kong, Xianghe] Univ South China, Sch Chem & Chem Engn, Hengyang, Hunan, Peoples R China.
[Li, Qian Ru; Lan, Wenbo] Xiangnan Univ, Sch Publ Hlth, Chenzhou, Hunan, Peoples R China.
通讯机构:
[Li, QR; Lan, WB ] X
Xiangnan Univ, Sch Publ Hlth, Chenzhou, Hunan, Peoples R China.
语种:
英文
期刊:
PLOS ONE
ISSN:
1932-6203
年:
2025
卷:
20
期:
9
页码:
e0330984
基金类别:
Project of Natural Science Youth Foundation of Hunan Province [2023JJ40530]; Proiect of Natural Science Youth Foundation of Hunan Province [23B0778, 21C0717]; Research Project of the Education Department of Hunan Province [CZSSKL2016039, CZSSKL2024147]; Chenzhou City social science project [HNJG-2021-0972]; Teaching Reform Project of Ordinary Higher Education Institutions in Hunan Province [2018XJ23]; Scientific Research Project of Xiangnan University [2021JCYJ03]; Chenzhou City Science and Technology Bureau project [2022sfq51]; Hunan Provincial Special Project Construction of Science and Technology Innovation Service Platform for Industrial Elements in Chenzhou; Nanling Characteristic Chinese medicine resources protection and utilization of the key laboratory in Hunan Province, Research and Development Center for Big Data Simulation Technology in the Prevention and Monitoring of Heavy Metal Ion Water Pollution in
机构署名:
本校为其他机构
院系归属:
化学化工学院
摘要:
Given the severe environmental and health risks posed by heavy metal pollutants such as mercury (Hg), cadmium (Cd), lead (Pb), chromium (Cr), and arsenic (As), the development of highly efficient and selective capture materials is critically important.This study explores the molecular structural characteristics of complexes formed by substituting the central palladium atom in nitrogen-heterocyclic carbene complexes with mercury (Hg), cadmium (Cd), lead (Pb), chromium (Cr), and arsenic (As). For all the complexes, the simulated infrared and ultraviolet-visible spectra, Wiberg bond indices, as w...

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