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个人信息Personal Information
教授
博士生导师
硕士生导师
主要任职：中国化学会创始会士、常务理事，中国化工学会会士
性别：男
毕业院校：大连理工大学
学位：博士
所在单位：化工学院
学科：应用化学. 精细化工. 化学生物学
办公地点：大连理工大学西部校区知顺楼F-202#
http://peng-group.dlut.edu.cn/
联系方式：大连理工大学西部校区知顺楼F-202 辽宁省大连市高新区凌工路2号，大连116024 课题组网址：http://peng-group.dlut.edu.cn/ E-mail: pengxj@dlut.edu.cn
电子邮箱：pengxj@dlut.edu.cn
A binuclear isocyanide azadithiolatoiron complex relevant to the active site of Fe-only hydrogenases: Synthesis, structure and electrochemical properties
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论文类型：期刊论文
发表时间：2006-11-20
发表刊物：EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
收录刊物：SCIE、Scopus
期号：22
页面范围：4679-4686
ISSN号：1434-1948
关键字：bioinorganic chemistry; density functional calculations; hydrogenases; iron; isocyanide ligands
摘要：An aromatic isocynide-substituted diiron complex 5 has been synthesized as amimic for the active site of Fe-only hydrogenases. Its structure has been fully characterised by X-ray crystallography. The 4-iodophenylisocyanide ligands in 5 are in the basal positions and are nearly parallel to each other, with pi-pi stacking interactions. Four isomeric geometries of complex 5 have been optimized by DFT calculations, and the electrochemical properties of 5 have been investigated by cyclic voltammetry in the absence and presence of p-toluenesulfonic acid (HOTs). Analysis of the cyclic voltammetric curve indicates that the reduction event at about -1.43 V is electrocatalytically active to proton reduction. This potential is more positive than that of any functionalized propanedithiolatidiiron complex. (c) Woley-VCH Verlag GmbH & Co. KGaA.