检索结果-南通市图书馆

Synthesis,Structure and Chemical Bonding of Polyantimony Clusters Containing Coinage Metals[M_(2)Sb_(14)]^(4-)(M=Cu,Ag)

引用

Chinese Journal of Chemistry 2024年第6期42卷 617-622页

作者： Wei-Xing Chen Yu-He Xu Cui-Cui Wang Lei Qiao Zi-Yan Guo wen-juan tian Zhong-Ming Sun State Key Laboratory of Element-Organic Chemistry Tianjin Key Lab for Rare Earth Materials and ApplicationsSchool of Materials Science and EngineeringNankai UniversityTianjin300350 China Institute of Molecular Science Shanxi UniversityTaiyuanShanxi030006 China

Binary polyantimony clusters,namely[Cu_(2)Sb_(14)]^(4–) and [Ag_(2)Sb_(14)]^(4–),containing coinage metals,were successfully synthesized and characterized,in which two homoatomic Sb73–subunits are bridged by two coinage metals in η^(4):η^(1) and η^(1):η^(1) coordination modes,***[M_(2)Sb_(14)]^(4-),two bridging Cu ions and two Sb atoms form a planar rhombic unit,which was revealed to have antiaromatic properties by theoretical *** electron structure and bonding analysis confirmed the presence of delocalized bonds in the rhombic unit and the metallophilic interaction between two formal M^(+) ions.

关键词： Polyantimony cluster Copper Silver Antiaromaticity Metallophilic interaction Quantum chemical calculations

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Metal-metal bonds in Zintl clusters:Synthesis,structure and bonding in[Fe_(2)Sn_(4)Bi_(8)]^(3-)and[Cr_(2)Sb_(12)]^(3-)

引用

Chinese Chemical Letters 2024年第8期35卷 558-566页

作者： Ya-Nan Yang Zi-Sheng Li Sourav Mondal Lei Qiao Cui-Cui Wang wen-juan tian Zhong-Ming Sun John E.McGrady State Key Laboratory of Element-Organic Chemistry Tianjin Key Lab for Rare Earth Materials and ApplicationsSchool of Materials Science and EngineeringNankai UniversityTianjin 300350China Department of Chemistry University of OxfordInorganic Chemistry LaboratoryOxfordOX13QRUnited Kingdom

We report here the synthesis and characterization of two new members of the M2 E 12 family of endohe-dral Zintl clusters,[Fe_(2)Sn_(4)Bi_(8)]^(3-)and[Cr_(2)Sb_(12)]^(3-),both of which contain open-shell metal dimers encap-sulated inside a triple-decker cluster of main-group *** 75-electron[Fe_(2)Sn_(4)Bi_(8)]^(3-)cluster has a D4h-symmetric structure,while[Cr_(2)Sb_(12)]^(3-),despite having the same 75-electron count,is strongly dis-torted to a geometry that resembles a CrSb_(8)crown capped by a CrSb_(4)*** structural differences between the two are driven by the increasing availability of 3d electron density in the earlier transi-tion metal,which leads,ultimately,to different electronic configurations in the two *** trends precisely mirror those observed in the ME_(10)and ME_(12)families containing a single transition metal ion.

关键词： Zintl anions Endohedral clusters Metal-metal bond Second-order Jahn-Teller effect DFT calculation

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Planar Antiaromatic B23H6-/0: Hydroboron Analogs of Pyrene C16H10

Planar Antiaromatic B23H6-/0: Hydroboron Analogs of Pyrene C...

引用

中国化学会第十二届全国量子化学会议

作者： Qiang Chen wen-juan tian Hui Bai Si-Dian Li Institute of Molecular Science Shanxi University

The analogy between boron clusters and polycyclic hydrocarbons has emerged as a fascinating concept in chemistry in recent *** examples include B12/C6H6,B162-/C10H8,B18H62+/C10H10,B222-/C14H10,and B36/C24H12.1,2 In this work at PBE0/6-311+G*level,we predict the existence of planar B23H6-/0 which appear to be the hydroboron analogs of pyrene *** the elongated D2h B23H6 and C2v B23H6-are found to possess almost perfectly planar structures,geometrically similar to D2h *** importantly and interestingly,their eight canonical molecular orbitals（CMOs）have an exact one-to-one correspondence with that of D2h *** adaptive natural density partitioning（Ad NDP）analyses further indicate that C2v B23H6-is antiaromatic in nature,with 4 islandπbonds（2×4c-2e×and 2×5c-2e π）at each corner and 4 totally delocalized π bonds（4×23c-2eπ）covering the whole molecular surface conforming to the 4n Hückel rule,again similar to pyrene（see Fig.1）.D2h B23H6 has essentially the same bonding pattern.B23H6-/0 are therefore the hydroboron analogs of *** facilitate their future photoelectron spectroscopy（PES）characterizations,we simulate the PES spectrum of C2v B23H6-at TD-DFT.B23H6-appears to have the calculated vertical detachment energy of VDE=3.51 e V（which corresponds to the electron affinity of B23H6）,followed by two broad bands between 4.2-5.3 e V and5.8-6.4 e V,respectively.

关键词：

来源： cnki会议评论

在线全文

cnki会议

学校读者我要写书评

暂无评论

Bnq(q=n-40, n=36-40): Borospherene Family and Their Chemistry

Bnq(q=n-40, n=36-40): Borospherene Family and Their Chemistr...

引用

第七届全国物理无机化学学术会议

作者： Qiang Chen wen-juan tian Hua-Jin Zhai Si-Dian Li Institute of Molecular Science Shanxi University

The experimental observation of the cage-like DB(2014)and C/C B(2015)borospherenes(all-boron fullerenes)marks the onset of a new area of chemistry:the borospherene chemistry.[1,2]In the past two years,based upon exten...

关键词：

来源： cnki会议评论

在线全文

cnki会议

学校读者我要写书评

暂无评论

Theoretical and experimental investigations on borospherenes,borophenes, boronanotubes, and their metal-doped nanomaterials

Theoretical and experimental investigations on borospherenes...

引用

第十三届全国量子化学会议

作者： Hai-Ru Li Hui Liu Xiao-Yun Zhao Ling Pei wen-juan tian Si-Dian Li Institute of Molecular Science Shanxi University

Boron as a typical electron-deficient element has a rich chemistry next only to carbon in the periodical table. Boron-based nanomaterials have attracted considerable attention in recent years. We present herein the latest theoretical and experimental investigations on cage-like borospherenes B(q=n-40, n=36-42),metal-doped heteroborospherenes Ni∈B(n=1-6), borophene monolayers on Ag(111) substrates, metal-doped Ni∈B heteroborophenes, tubular molecular rotors B-Ta@B, B-Ta@B, and B-Ta@B, and the tubular to cage-like structural transition in metal-centered boron clusters at Ta@B which is the smallest endohedral metalloborospherene with the record coordination number of CN=*** nanostructures exhibit unique structural fluctuations due to bonding fluctuations originated from multicenter bonding in the systems. Boron-based nanostructures possess properties complementary to carbon nanostructures and may find wide applications in energy-storage and electronics materials.

关键词： borospherenes borophenes boronanotubes Metal-doped boronanomaterials

来源： cnki会议评论

在线全文

cnki会议

学校读者我要写书评

暂无评论

Planar Tricyclic B8O80/- Clusters:Boron Oxide Analogs of s-Indacene C12H8

Planar Tricyclic B8O80/- Clusters:Boron Oxide Analogs of s-I...

引用

第十三届全国量子化学会议

作者： Da-Zhi Li Lin-Yan Feng Li-juan Zhang wen-juan tian Qiu-Hong Xu Hua-Jin Zhai Si-Dian Li College of Chemistry and Chemical Engineering Binzhou University Nanocluster Laboratory Institute of Molecular ScienceShanxi University

Boron-containing heterocyclic clusters possess unique bonding characteristics. Some skeleton materials with boron-containing heterocycles as building units have potential application in gas adsorption, selective catalysis and optics.[1-2]The s-indacene CH with C symmetry can be described as a limit system between the classes of aromatic and antiaromatic molecules due to its unique structural and magnetic properties.[3] Inspired by the principle of isoelectronic species, we design planar tricyclic BOmolecules with D symmetries. Interestingly, D BO(A) and D BO.(B) are the global minima of the systems based upon global structural searches and B LYP and CCSD(T) calculations. The D structures feature tricyclic system(5+6+5), which consists two BOfive-membered rings fused together via two bridging O atoms and terminated by two BO groups. Bonding analyses show that the closed-shell BO cluster possesses 12 delocalized π electrons, closely analogous to the bonding pattern of the s-indacene CH.

关键词： Boron oxide analog polycyclic aromatic hydrocarbons

来源： cnki会议评论

在线全文

cnki会议

学校读者我要写书评

暂无评论

Seashell-like B27 and B27-: The smallest borospherenes

Seashell-like B27 and B27-: The smallest borospherenes

引用

第七届全国物理无机化学学术会议

作者： Qiang Chen wen-juan tian Hai-Ru Li Hai-Gang Lu Hua-Jin Zhai Si-Dian Li Institute of Molecular Science Shanxi University

The observation of the cage-like DB[1]has aroused great interests in borospherenes(all-boron fullerenes).A borospherene family B(q=n-40,n=38-42)composed of twelve interwoven double chains with aσ+πdouble delocalizat...

关键词：

来源： cnki会议评论

在线全文

cnki会议

学校读者我要写书评

暂无评论

Saturn-Like Charge-Transfer Complexes Li4&B36, Li5&B36+, and Li6&B362+:Exohedral Metalloborospherenes with A Perfect Cage-Like B364- Core

Saturn-Like Charge-Transfer Complexes Li4&B36, Li5&B36+, and...

引用

第七届全国物理无机化学学术会议

作者： wen-juan tian Qiang Chen Hai-Ru Li Miao Yan Yue-wen Mu Hai-Gang Lu Hua-Jin Zhai Si-Dian Li Institute of Molecular Science Shanxi University

Cage-like borospherenes B(q=n-40)and their metalloborospherenes have received considerable attention since the discovery of *** on extensive first-principles theory calculations,we present herein the possibility of th...

关键词：

来源： cnki会议评论

在线全文

cnki会议

学校读者我要写书评

暂无评论

Quasi-planar aromatic B36 and B36- clusters: all-boron analogues of coronene

Quasi-planar aromatic B36 and B36- clusters: all-boron analo...

引用

中国化学会第29届学术年会

作者： Qiang Chen Guang-Feng Wei wen-juan tian Hui Bai Zhi-Pan Liu Hua-Jin Zhai Si-Dian Li Nanocluster Laboratory Institute of Molecular Science Shanxi University Department of Chemistry Fudan University

Flat boron has recently emerged as a fascinating concept in cluster science[1,2].Here we present computational evidence for the quasi-planar all-boron aromatic B36（C6v,1A1）and B36（C2vγ,2A1）clusters,established as the global-minimum structures on the basis of Stochastic Surface Walking（SSW）*** energetics for low-lying isomeric structures are evaluated using validated density-functional method at the PBE0/6-311+G**** global-minimum structures are in line with a recent report（*** et al.,Nature Commun.,2014,5,3113）.These structures consist of two-dimensional close-packing boron with a perfect hexagonal hole at the center,which may serve as molecular models for the monolayer boron α sheet[3].Chemical bonding analysis indicates that B36 and B36- are all-boron analogues of coronene（C24H12）,featuring concentric dual π aromaticity with an inner π sextet and an outer π *** hydrogenated B36H6（C6v,1A1）model cluster shows similar bonding properties,which possesses concentric triple aromaticity with inner π,outer π,and outer σsextets.

关键词：

来源： cnki会议评论

在线全文

cnki会议

学校读者我要写书评

暂无评论

正规表达式与恰当终结的标准Petri网(英文)

引用

系统仿真学报 2008年第20期20卷 5655-5660页

作者：廉文娟曾庆田范昊梁永全山东科技大学信息科学与工程学院山东青岛266510

已知一个语言表达式或语言的集合,如何构造产生该语言的Petri网模型是Petri网语言理论中的一个重要问题。为解决这个问题,引入一种称为恰当终结的标准Petri网模型。研究了恰当终结的标准Petri网语言(无ε-空标注)关于连接算""、选择(并... 详细信息

已知一个语言表达式或语言的集合,如何构造产生该语言的Petri网模型是Petri网语言理论中的一个重要问题。为解决这个问题,引入一种称为恰当终结的标准Petri网模型。研究了恰当终结的标准Petri网语言(无ε-空标注)关于连接算""、选择(并)运算"+"、kleene闭包运算"+"、并行运算"//"的性质,证明了恰当终结的标准Petri网语言与正规语言的等价性,并给出了正规表达式到恰当终结的标准Petri网(带ε-空标注)的转换算法。作为对传统形式语言的有益补充,还给出了带并发算子的正规表达式到恰当终结的标准Petri网(带ε-空标注)的转换算法。

关键词：恰当终结的标准Petri网 Petri网正规语言正规表达式语言

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

欢迎您,

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案：

请选择收藏分类：

通借通还

欢迎您,

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：