CuO(H_2O)~-,CuO_2(H_2O)~-和Cu_2O(H_2O)~-的光电子能谱和理论研究
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- 英文论文题名：Photoelectron Spectroscopy and Theoretical Studies of CuO(H_2O)~-, CuO_2(H_2O)~-, and Cu_2O(H_2O)~-
- 论文作者：赵丽娟 ; 许洪光 ; 冯刚 ; 王鹏 ; 徐西玲 ; 郑卫军
- 英文论文作者：Li-Juan Zhao ; Hong-Guang Xu ; Gang Feng ; Peng Wang ; Xi-Ling Xu ; Wei-Jun Zheng ; Beijing National Laboratory for Molecular Sciences ; State Key Laboratory of Molecular Reaction Dynamics ; Institute of Chemistry ; Chinese Academy of Sciences
- 年：2016
- 作者机构：中国科学院化学研究所分子反应动力学国家重点实验室;
- 论文关键词：铜氧化物 ; 水 ; 光电子能谱 ; 理论计算
- 会议召开时间：2016-07-01
- 会议录名称：中国化学会第30届学术年会摘要集-第四十四分会：化学动力学
- 语种：中文
- 分类号：O614.121
- 学会代码：ZGHY
- 会议名称：中国化学会第30届学术年会-第四十四分会 ; 化学动力学
- 会议地点：中国辽宁大连
- 主办单位：中国化学会
- 学会名称：中国化学会
- 页数：1
- 文件大小：251k
- 原文格式：D
- 会议级别：全国
摘要
铜氧化物-水体系的研究对理解生物化学过程如酶活性和基因表达以及铜在工业和农业方面的毒性机理方面有重要的意义。~(1-3)我们结合光电子能谱和理论计算对CuO(H_2O)~-,CuO_2(H_2O)~-和Cu_2O(H_2O)~-进行了研究。测得的CuO(H_2O)~-的垂直脱附能值比CuO_2(H_2O)~-的小,却比Cu_2O(H_2O)~-的大。它们的最稳定结构的形式分别为Cu(OH)_2~-,CuO(OH)_2~-和Cu(CuO(OH)_2)~-,比对应的水合物质稳定得多。中性CuO(H_2O)的最稳定结构与CuO(H_2O)~-的类似。但是,中性的CuO_2(H_2O)和Cu_2O(H_2O)的最稳定结构与对应的负离子的结构完全不同。
The studies of copper oxide-water systems play an important role in the understanding of biochemical processes such as enzyme activity and genetic expression as well as the toxicity of copper in industry and agriculture.CuO(H_2O)~-,CuO_2(H_2O)~-,and Cu_2O(H_2O)~-clusters were investigated by using photoelectron spectroscopy in combination with theoretical calculations.The measured vertical detachment energy of CuO(H_2O)~-is smaller than that of CuO_2(H_2O) but larger than that of Cu_2O(H_2O).Their global minima are in the form of Cu(OH)_2~-,CuO(OH)_2~-,and Cu(CuO(OH)_2)~-respectively which are much stable than their corresponding hydrated species.The most stable isomer of neutral CuO(H_2O) is similar to that of CuO(H_2O)~-.However,those of neutral CuO_2(H_2O) and Cu_2O(H_2O) are different from their anionic counterparts.
The studies of copper oxide-water systems play an important role in the understanding of biochemical processes such as enzyme activity and genetic expression as well as the toxicity of copper in industry and agriculture.CuO(H_2O)~-,CuO_2(H_2O)~-,and Cu_2O(H_2O)~-clusters were investigated by using photoelectron spectroscopy in combination with theoretical calculations.The measured vertical detachment energy of CuO(H_2O)~-is smaller than that of CuO_2(H_2O) but larger than that of Cu_2O(H_2O).Their global minima are in the form of Cu(OH)_2~-,CuO(OH)_2~-,and Cu(CuO(OH)_2)~-respectively which are much stable than their corresponding hydrated species.The most stable isomer of neutral CuO(H_2O) is similar to that of CuO(H_2O)~-.However,those of neutral CuO_2(H_2O) and Cu_2O(H_2O) are different from their anionic counterparts.
引文
[1]L.Zeng;E.W.Miller;A.Pralle;E.Y.Isacoff;C.J.Chang.J.Am.Chem.Soc.,2006,128:10-11.
[2]P.B.Zhou;D.J.Thiele.Proceedings of the National Academy of Sciences,1991,88:6112-6116.
[3]L.M.Gaetke;C.K.Chow.Toxicology,2003,189:147-163.
[2]P.B.Zhou;D.J.Thiele.Proceedings of the National Academy of Sciences,1991,88:6112-6116.
[3]L.M.Gaetke;C.K.Chow.Toxicology,2003,189:147-163.