(IV) 和 (IV) 硫乙烯和乙烯复合物:合成和An-ER (E=S,Se) 结合比较
Novan A G Gray1, David J H Emslie1
1Department of Chemistry and Chemical Biology, McMaster University, Hamilton, Ontario L8S 4M1, Canada.
Inorganic chemistry
|September 26, 2024
概括
合成了新型的活性化物基乙烯复合物,其中包括罕见的-乙烯,-乙烯和-乙烯键. 这些复合体表现出这些特定的活性化物-素键的已知最短的距离.
科学领域:
- 有机金属化学 有机金属化学
- 无机化学 无机化学 有机化学
- 动因化物化学 动因化物化学
背景情况:
- 动氨酸元素形成多样化的协调复合体.
- 基乙烯配体具有独特的结合性质.
- 和的化学反应对核科学至关重要.
研究的目的:
- 为了合成和表征新型的动因化物石灰复合物.
- 研究An-ER2债券的结构和电子特性.
- 为了探索行为因子-基因相互作用的协同性.
主要方法:
- 使用含有和的刚性连接体合成行为体复合体.
- 进行X射线晶体学,用于结构性确定1-3-3复合体.
- 密度函数理论 (DFT) 和分子中的原子量子理论 (QTAIM) 的计算.
主要成果:
- 成功合成了-乙烯,-乙烯和-乙烯复合体.
- X射线结构揭示了由两个连接体协调的四价性动因酸.
- 观察到的An-ER2键距离比共价半径的总和要短.
- DFT和QTAIM计算证实了显著的An(IV) -ER2相互作用和共价性.
结论:
- 1-3个复合体代表了罕见的动因化物-基乙烯键的例子.
- 这项研究提供了对这些纽带的性质和强度的洞察.
- 已知最短的Th-SR2和Th-SeR2距离已经实现.
相关概念视频
Preparation and Reactions of Sulfides
4.7K
Sulfides are the sulfur analog of ethers, just as thiols are the sulfur analog of alcohol. Like ethers, sulfides also consist of two hydrocarbon groups bonded to the central sulfur atom. Depending upon the type of groups present, sulfides can be symmetrical or asymmetrical. Symmetrical sulfides can be prepared via an SN2 reaction between 2 equivalents of an alkyl halide and one equivalent of sodium sulfide.
4.7K
Preparation and Reactions of Thiols
6.0K
Thiols are prepared using the hydrosulfide anion as a nucleophile in a nucleophilic substitution reaction with alkyl halides. For instance, bromobutane reacts with sodium hydrosulfide to give butanethiol.
6.0K
Valence Bond Theory
8.5K
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...
8.5K
Structure and Nomenclature of Thiols and Sulfides
4.6K
Thiols and sulfides are sulfur analogs of alcohols and ethers, respectively, where the sulfur atom takes the place of the oxygen atom. Thus, thiols are generally represented as RSH, where R is an alkyl substituent and —SH is the functional group. On the other hand, in sulfides, the central sulfur atom is bonded to two hydrocarbon groups on either side. Depending upon the type of group, sulfides can be either symmetrical or asymmetrical. Both thiols and sulfides display a bent geometry,...
4.6K
Hybridization of Atomic Orbitals II
31.9K
sp3d and sp3d 2 Hybridization
31.9K
Hybridization of Atomic Orbitals I
46.6K
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...
46.6K


