超重元素Uus(Z=117)在酸溶液中标准电极电势的理论预测  

Theoretical estimates of standard electrode potentials for superheavy element Uus(Z=117) in acid solutions

作　　者：常志伟[1,2] 张登红[1,2] 董晨钟[1,2] 

机构地区：[1]甘肃省原子分子物理与功能材料重点实验室,物理与电子工程学院,西北师范大学,兰州730070 [2]西北师范大学与中国科学院近代物理研究所极端环境原子分子物理实验室,兰州730070

出　　处：《中国科学：物理学、力学、天文学》2013年第1期61-68,共8页Scientia Sinica Physica,Mechanica & Astronomica

基　　金：国家自然科学基金资助项目(批准号:91126007;10964010;11064012)

摘　　要：基于Born-Haber热力学循环理论,利用多组态Dirac-Fock方法计算的超重元素Uus及其同族元素Cl,Br,I和At的离化势和亲和势及已有的标准电极电势的实验值,拟合得到了Uus的元素电势图.结果表明:在酸溶液中Uus的0价态能够稳定存在,而1,1+和5+价态不能稳定存在;在同族元素中,随原子序数Z的增大,0价态和1+态的稳定性逐渐增加,1价态的稳定性逐渐降低;而5+价态的稳定性随原子序数变化并不是单调的.对于这种稳定性随原子序数变化的规律,我们从价电子能级的相对位置以及电子电离或亲和的过程作了定性的解释.Based on the Born-Haber thermodynamic cycle, standard electrode potentials for superheavy element Uus （Z=117） in acid solutions have been estimated by using the linear correlation between the available experimental potential values and electron affinities and ionization potentials of concerned elements, which calculated by the multiconfiguration Dirac-Fock （MCDF） method. The results indicate that the 0 and 1＋ states of Uus can stably exist in the acid solutions while the 1 , 1＋ and 5＋ states can not. In the halogen congener, the stability of the 0 and 1＋ states increase and the stability of the 1 states decrease along the atomic number. For the 5＋ states, their stability is nonmontonic variation with the atomic number. The law of this stability varied with the atomic number is explained qualitatively from the relative position of the valence electron energy level and the process of the electron ionization or affinity.

关 键 词：超重元素Uus 标准电极电势 不同价态的稳定性 

分 类 号：O614[理学—无机化学]