[Hg{Fe(CO) 5}22+[SbF6-的结构特征和结合分析
Susanne M Rupf1, Sudip Pan2, Amina L Moshtaha1
1Institut für Anorganische Chemie, Freie Universität Berlin, Fabeckstraße 34-36, D-14195 Berlin, Germany.
Journal of the American Chemical Society
|July 6, 2023
概括
一种新的-铁碳化合物[Hg{(CO) 5}2]2+被合成并进行结构特征. 结合分析显示了相当大的-西格玛反捐,类似于相关的,突出显示了
科学领域:
- 有机金属化学
- 无机化学
- 协调化学
背景情况:
- 非经典的碳化合物提供独特的结合洞察力.
- 与铁的相互作用具有重要的化学意义.
- 了解电子结构有助于预测反应性.
研究的目的:
- 合成和描述新型的非经典碳化合物[Hg{Fe(CO) 5}2]2+.
- 调查和比较相关的铁二和二物种的结合.
- 为了阐明支配与铁的轨道相互作用.
主要方法:
- 单晶X射线衍射用于结构确定.
- 用化学价值自然轨道进行能量分解分析 (EDA-NOCV) 用于结合分析.
- 在无水HF中通过Hg (SbF6) 2和Fe (CO) 5的反应合成.
主要成果:
- 通过X射线结晶学证实了线性Fe-Hg-Fe部分和被遮蔽的CO形状.
- 滴定中的Hg-Fe键的长度与已知的二离子的长度相似.
- 在这两种物种中,EDA-NOCV分析显示Hg对铁碳酸片段的回捐占主导地位.
- 双和二物种最好被描述为Hg(0) 化合物.
结论:
- [Hg{(CO) 5}2]2+的合成和结构特征扩大了已知的-铁碳化合物家族.
- 类似的Hg-Fe键特性和主导的西格玛回捐存在于dcation和dianion物种中.
- 铁基碎片的电子缺陷增强了它们的西格玛受体能力,影响了整体结合.
更多相关视频
相关概念视频
Hybridization of Atomic Orbitals I
47.4K
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...
47.4K
Valence Bond Theory
8.8K
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
8.8K
Hybridization of Atomic Orbitals II
32.6K
sp3d and sp3d 2 Hybridization
32.6K
VSEPR Theory and the Basic Shapes
68.6K
Overview of VSEPR Theory
68.6K
Valence Bond Theory and Hybridized Orbitals
19.5K
According to valence bond theory, a covalent bond results when: (1) an orbital on one atom overlaps an orbital on a second atom, and (2) the single electrons in each orbital combine to form an electron pair. The strength of a covalent bond depends on the extent of overlap of the orbitals involved. Maximum overlap is possible when the orbitals overlap on a direct line between the two nuclei.
A σ bond (single bond in a Lewis structure) is a covalent bond in which the electron density is...
A σ bond (single bond in a Lewis structure) is a covalent bond in which the electron density is...
19.5K
Molecular Orbital Theory II
19.4K
Molecular Orbital Energy Diagrams
19.4K


