典型文献
Effect of ligand initial conformation and counteranion on complexation behaviors of R-BTBP toward Pd(Ⅱ)contained in highly active liquid waste
文献摘要：
Soft N-donor bis-triazin bipyridines derives(R-BTBP)are a type of very promising extratant for extrac-tion and complexation with long-lived trivalent minor actinides over lanthanides from highly active liquid waste(HLW).In addition to minor actinides,R-BTBP also holds very strong complexation ability toward fission palladium.However,few studies have been focused on the separation and complexation with the fission product Pd(Ⅱ)by R-BTBP.Herein,the complexation behaviors of Pd(Ⅱ)with four typical R-BTBP ligands were systematically studied by single crystal X-ray diffraction,1H NMR titration and theoretical calculation.The effects of R-BTBP initial conformation and nitrate anions on the complexation behaviors of R-BTBP with Pd(Ⅱ)were thoughtfully analyzed.Both the 1∶1 and 2∶1 binuclear complexes could be formed between Pd(Ⅱ)and R-BTBP with initial Ⅱ conformation in the presence of nitrate anions,while only one 1∶1 type Pd(Ⅱ)complex could be formed for those with initial OO conformation.Without ni-trate anion,only one 1∶1 type complex was formed in solution.The structure of the 1∶1 Pd(Ⅱ)/R-BTBP complex was firstly characterized by single crystal crystallography.DFT calculation results showed that a significant large rotational energy barrier(21.8～22.6kcal/mol)must be overcome to form the Ⅱ type 2∶1 Pd(Ⅱ)complex for those OO type R-BTBP ligands,however which would not prevent them from forming the 1∶1 type complex.
文献关键词：
中图分类号：
作者姓名：
Lei Xu;Wenya Ding;Anyun Zhang;Ziyang Liu
作者机构：
Key Laboratory of Nuclear Agricultural Sciences of Ministry of Agriculture and Zhejiang Province,Institute of Nuclear Agricultural Sciences,Zhejiang University,Hangzhou 310058,China;College of Chemical and Biological Engineering,Zhejiang University,Hangzhou 310027,China;College of Materials Science and Engineering,China Jiliang University,Hangzhou 310018,China
文献出处：
引用格式：
[1]Lei Xu;Wenya Ding;Anyun Zhang;Ziyang Liu-.Effect of ligand initial conformation and counteranion on complexation behaviors of R-BTBP toward Pd(Ⅱ)contained in highly active liquid waste)[J].中国化学快报（英文版）,2022(07):3565-3569
A类：
counteranion,BTBP,triazin,bipyridines,extratant,actinides,thoughtfully,6kcal
B类：
Effect,initial,conformation,complexation,behaviors,toward,Pd,contained,highly,active,liquid,waste,Soft,donor,bis,derives,are,type,very,promising,extrac,long,lived,trivalent,minor,lanthanides,from,HLW,In,addition,also,holds,strong,ability,fission,palladium,However,few,studies,have,been,focused,separation,product,by,Herein,four,typical,ligands,were,systematically,studied,single,ray,diffraction,1H,NMR,titration,theoretical,calculation,effects,nitrate,anions,analyzed,Both,binuclear,complexes,could,formed,between,presence,while,only,one,those,OO,Without,solution,structure,firstly,characterized,crystallography,DFT,results,showed,that,significant,large,rotational,energy,barrier,must,overcome,however,which,would,not,prevent,them,forming
AB值：
0.448754
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