Chemical characterization of element 112

The heaviest elements to have been chemically characterized are seaborgium (element 106), bohrium (element 107) and hassium (element 108). All three behave according to their respective positions in groups 6, 7 and 8 of the periodic table, which arranges elements according to their outermost electrons and hence their chemical properties. However, the chemical characterization results are not trivial: relativistic effects on the electronic structure of the heaviest elements can strongly influence chemical properties. The next heavy element targeted for chemical characterization is element 112; its closed-shell electronic structure with a filled outer s orbital suggests that it may be particularly susceptible to strong deviations from the chemical property trends expected within group 12. Indeed, first experiments concluded that element 112 does not behave like its lighter homologue mercury. However, the production and identification methods used cast doubt on the validity of this result. Here we report a more reliable chemical characterization of element 112, involving the production of two atoms of (283)112 through the alpha decay of the short-lived (287)114 (which itself forms in the nuclear fusion reaction of 48Ca with 242Pu) and the adsorption of the two atoms on a gold surface. By directly comparing the adsorption characteristics of (283)112 to that of mercury and the noble gas radon, we find that element 112 is very volatile and, unlike radon, reveals a metallic interaction with the gold surface. These adsorption characteristics establish element 112 as a typical element of group 12, and its successful production unambiguously establishes the approach to the island of stability of superheavy elements through 48Ca-induced nuclear fusion reactions with actinides.     

Chemical characterization of bohrium (element 107)

The arrangement of the chemical elements in the periodic table highlights resemblances in chemical properties, which reflect the elements' electronic structure. For the heaviest elements, however, deviations in the periodicity of chemical properties are expected: electrons in orbitals with a high probability density near the nucleus are accelerated by the large nuclear charges to relativistic velocities, which increase their binding energies and cause orbital contraction. This leads to more efficient screening of the nuclear charge and corresponding destabilization of the outer d and f orbitals: it is these changes that can give rise to unexpected chemical properties. The synthesis of increasingly heavy elements, now including that of elements 114, 116 and 118, allows the investigation of this effect, provided sufficiently long-lived isotopes for chemical characterization are available. In the case of elements 104 and 105, for example, relativistic effects interrupt characteristic trends in the chemical properties of the elements constituting the corresponding columns of the periodic table, whereas element 106 behaves in accordance with the expected periodicity. Here we report the chemical separation and characterization of six atoms of element 107 (bohrium, Bh), in the form of its oxychloride. We find that this compound is less volatile than the oxychlorides of the lighter elements of group VII, thus confirming relativistic calculations that predict the behaviour of bohrium, like that of element 106, to coincide with that expected on the basis of its position in the periodic table.     

论生物体内的生物元素图谱

给出了生物元素的定义,讨论了人体内存在的生物元素的由来及功能;系统地总结了 s区和p区主族元素、d区过渡元素和f区稀土元素对四膜虫真核细胞生长分裂的促进或营养作用及毒性抑制的影响,得到一定的规律性。提出生物体内存在着“生物元素平衡图谱”,它于三维元素周期表空间内展现出来,是反映生物与地球表面环境之间物质交换、能量交换达到动态平衡的标志。这样,三维元素周期表不仅揭示各元素及化合物的物理 、化学性质,看来也能在一定程度上预示它们的生物学性质。     

从离子半径变化看元素地球化学场中的成矿分带

元素地球化学场揭示了与门捷列夫周期律相适应的、元素在内生过程中的聚散趋势和空间分布规律。在元素地球化学场展示的 3个不同层次的地球化学断面中 ,花岗岩体断面上成矿元素的析出顺序 ,与元素在周期表中的位置有明确的对应关系。为此 ,从元素自身结构变化的角度 ,探讨这种现象的原因。研究结果表明 ,与花岗岩有关的热液成矿元素的析出顺序和分带规律 ,与元素的离子半径和离子电位密切相关。     

元素分成四大类的新方法

根据各种原子的价电子数目(m)与它们的主量子数(n)之比值(m/n),将元素划分成金属与非金属。     

对m／n值实用性的进一步研讨

m/n值除用来对元素进行划分大类外,本文又对元素性质在周期表中的递变规律,确定氢元素在周期表上的位置及对周期系未来发展等方面的应用进行了讨论。     

NiW合金基带表面c(2×2)-S超结构的硫化处理

由于硫元素与氧元素化学特性相近,利用硫在Ni基带表面形成的c(2×2)-S超结构可以有效地控制氧化物缓冲层在Ni基带表面的织构.本研究提出将单质硫在120℃下挥发,利用单质硫在基带表面的吸附与脱附形成有序c(2×2)-S超结构的新技术路线.X光电子能谱(XPS)结果显示,采用新技术处理的金属基带表面有明显的硫元素,基带表面Ni和S的原子比例符合c(2×2)结构中S的覆盖度,即0.5的要求.在经过硫化处理后的NiW基带表面制备缓冲层,结果显示,新硫化处理技术改善了NiW基带表面的物理化学特性,有利于氧化物缓冲层的外延生长.     

组成人体的化学元素与元素周期律

本文从组成人体的主要元素在周期表中的位置说明它们与周期律密切相关,并归纳出人体在自然界选择元素的一般规律。然后,从这些元素在人生存的地球环境中的分布和它们的化学性质这两个方面,分析、论述了呈现这种规律的原因。     

元素周期表录像片的设计和制作

运用多媒体电化教学手段，借助Ｓ－ＶＨＳ型摄像机，ＢＶＥ－８００编辑机及带编辑功能的ＢＶＵ－８５０Ｐ录像机等先进的设备，拍摄了实物元素周期表录像片，将元素周期表中元素的单质，存在于自然界的矿物以及它们的主要物理、化学性质、通过清晰的画面，生动的演示实验形象逼真地表现出来，使学生在学习化学时能贴近社会，寓学习于兴趣之中。     

原子和离子的边界半径

假设原子（离子）中一个电子所受到的作用势等于其第一电离能的值,定义了原子（离子）的边界半径,其具有内禀性、唯一性的特点,借助于MELD从头计算程序,计算了原子（离子）中一个电子受到的作用势,给出了前四周期元素的原子和离子边界半径,这种半径与传统半径之间存在很好的相关性,具有可应用性和预测性。     

元素周期律立体模型的设计

根据元素周期律,以环形元素周期表为基础,定义元素在球面上的坐标,设计出元素周期律半球立体模型.     

非金属含氧酸及其盐的氧化还原性

讨论了元素周期表中第ⅦA、ⅥA、ⅤA、ⅣA族多氧化态成酸元素的含氧酸及其盐的氧化还原性及决定其氧化还原稳定性的一些因素．     

A stable argon compound

The noble gases have a particularly stable electronic configuration, comprising fully filled s and p valence orbitals. This makes these elements relatively non-reactive, and they exist at room temperature as monatomic gases. Pauling predicted in 1933 that the heavier noble gases, whose valence electrons are screened by core electrons and thus less strongly bound, could form stable molecules. This prediction was verified in 1962 by the preparation of xenon hexafluoroplatinate, XePtF6, the first compound to contain a noble-gas atom. Since then, a range of different compounds containing radon, xenon and krypton have been theoretically anticipated and prepared. Although the lighter noble gases neon, helium and argon are also expected to be reactive under suitable conditions, they remain the last three long-lived elements of the periodic table for which no stable compound is known. Here we report that the photolysis of hydrogen fluoride in a solid argon matrix leads to the formation of argon fluorohydride (HArF), which we have identified by probing the shift in the position of vibrational bands on isotopic substitution using infrared spectroscopy. Extensive ab initio calculations indicate that HArF is intrinsically stable, owing to significant ionic and covalent contributions to its bonding, thus confirming computational predictions that argon should form a stable hydride species with properties similar to those of the analogous xenon and krypton compounds reported before.     

GaN（0001）表面吸附TiO2的DFT研究

建立了GaN(0001)2×2表面吸附模型,采用基于DFT动力学赝势方法,对TiO2分子的吸附进行了理论计算.研究了TiO2分子在GaN(0001)表面的吸附成键过程、成键方位及表面化学键特性.计算结果表明吸附过程经历了物理吸附、化学吸附与稳定态形成的过程,化学结合能达到7.184～7.423 eV.不同初始位置的TiO2分子吸附后,Ti在fcc或hcp位置,两个O原子分别与表面两个Ga原子成键,Ga—O化学键表现出共价键特征,O—O连线与GaN[11-20]方向平行,与实验观测(100)[001]TiO2//(0001)[11-20]GaN一致.     

掺杂对Al(111)面氧分子吸附性能影响

为了揭示掺杂对Al(111)面O2吸附性能影响规律。采用基于密度泛函理论（Density Functional Theory, DFT）的第一性原理计算方法,通过构建模型以及设置计算参数,计算得到了不同O原子覆盖度下Ni、Mn、Si掺杂对应Al(111)面吸附O2的吸附能、功函、Bader电荷、差分电荷密度、以及态密度。研究表明：当氧原子覆盖度较低情况下,纯铝表面吸附能绝对值最大,转移电子数最多,原子之间存在相互作用并主要由最外层电子轨道决定。当氧原子覆盖度增大至3/8时,掺杂表面吸附能大于纯铝表面,掺杂促进了Al(111)面吸附氧分子。结果表明：Al(111)面吸附氧分子的能力不仅与掺杂元素有关,还与各表面O原子的覆盖度有关,当O原子覆盖度较低时,Mn、Si、Ni掺杂抑制了O2吸附,当覆盖度较高时,Ni、Mn、Si掺杂促进了O2吸附。     

类铍体系基太以及低激发态能量的相对论修正

利用不可约张量理论,导出了铍原子(含类铍离子)能量的相对论修正(其中包括相对论质量修正、达尔文修正、自旋-自旋接触相互作用)的解析表达式,以此为基础,对于类铍体系(Z=4-8)基态(1s)22s2s1S以及低激发态(1s)22s2p3P分别完成角向、径向积分以及自旋求和,具体计算了这两个态的总能量,计算结果与实验数据符合得较好.     

“惰性电子对效应”及其在无机化学中的应用

在现行的各种国内外“无机化学”教材中,对周期系P区各主族元素由上而下产生“惰性电子对效应”的原因以及它在“无机化学”中的应用未作仔细阐述,本文提出个人的见解作了进一步的讨论。可供无机化学教学参考。     

镧系锕系元素的重新界定与32列元素周期表

阐述了重新界定镧系、锕系元素的理由,提出了f区元素与d区元素的新概念。对现有元素周期表的排列提出了新的建议。编制了32列元素周期表,提出了增加C族的想法。