M2 ((hpp) 4Cl2和M2 ((hpp) 4 ,其中M = Mo和W:制剂,结构和结合,并与C2,C2H2和C2Cl2以及假设分子M2 ((hpp) 4 ((H) 2进行比较
Malcolm H Chisholm1, Judith Gallucci, Christopher M Hadad
1Department of Chemistry, The Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210, USA.
Journal of the American Chemical Society
|December 18, 2003
概括
这项研究通过使用Hhpp合物合成了新的双核和化合物,其中使用了轮核心. 这些化合物表现出独特的结合特性,包括M-M四重键和轴性化物结合,对无机化学有影响.
科学领域:
- 无机化学 无机化学
- 有机金属化学 有机金属化学
- 材料科学 材料科学 材料科学
背景情况:
- 具有四重键的双核金属复合物由于其独特的电子结构和反应性而具有重大兴趣.
- 新联体的合成和表征对于扩大可访问的金属复合体的范围至关重要.
- 了解这些复合体中的电子结构和结合,为化学结合提供了基本的见解.
研究的目的:
- 为了合成和表征新的双核 (Mo) 和 (W) 复合物,其中包括1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine (hpp) 联体.
- 通过实验和计算方法研究这些新型化合物的结构,电子和结合特性.
- 探索这些复合物的反应性,特别是它们的氧化和与素的反应.
主要方法:
- 固态化反应和溶液相联体交换反应被用于合成.
- 通过升华和再结晶来实现净化.
- 单晶X射线晶体学用于结构的确定.
- 进行了梯度校正密度函数理论 (DFT) 计算,以分析电子结构和粘合.
主要成果:
- 新型双核化合物M(2) ((hpp) ((4) Cl(2) (1a,M=Mo; 1b,M=W) 和M(2) ((hpp) ((4) (2a,M=Mo; 2b,M=W) 已成功合成.
- X射线晶体学揭示了一个轮M(2)(hpp)(4) 核心与1a和1b的轴联化物.
- DFT计算表明2a和2b中的M-M四重债券,M-M三重债券和1a和1b中的三角轨道LUMO.
- 化合物2a和2b很容易氧化并与相反应,分别形成1a和1b.
- 这些复合体中的结合与d(4) -d(4) 和d(3) -d(3) 双核系统和二原子碳物种相似.
结论:
- 这种hpp连接体有效地稳定了具有不寻常结合方式的双核Mo和W复合体.
- 电子结构计算提供了对金属-金属和金属-连接体结合的详细了解.
- 该研究强调了这些系统中M-M四倍和三倍债券及其反应模式的潜力.
更多相关视频
07:20Discovery and Synthesis Optimization of Isoreticular Al(III) Phosphonate-Based Metal-Organic Framework Compounds Using High-Throughput Methods
Published on: October 6, 2023
07:14Experimental Approaches for the Synthesis of Low-Valent Metal-Organic Frameworks from Multitopic Phosphine Linkers
Published on: May 12, 2023
相关概念视频
Molecular Orbital Theory II
Molecular Orbital Energy Diagrams
Hybridization of Atomic Orbitals I
The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
Predicting Molecular Geometry
VSEPR Theory for Determination of Electron Pair Geometries
Exceptions to the Octet Rule
Many covalent molecules have central atoms that do not have eight electrons in their Lewis structures. These molecules fall into three categories:
Metallic Solids
Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
Molecular Models
Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
