三成员环或开放链分子 - (F3C) F2SiONMe2 在化学中的α效应模型
Norbert W Mitzel1, Krunoslav Vojinović, Roland Fröhlich
1Institut für Anorganische und Analytische Chemie, Westfälische Wilhelms-Universität Münster, Corrensstr. 30, D-48149 Münster, Germany. mitzel@uni-muenster.de
Journal of the American Chemical Society
|September 30, 2005
概括
一种新型的化合物 (F3C) F2SiONMe2,表现出一种非经典的-键,具有不寻常的结构和电子特性,挑战了化学中的传统结合模型.
科学领域:
- 有机化学 有机化学
- 无机化学 无机化学 有机化学
- 计算化学计算化学
背景情况:
- -化合物在各种化学应用中至关重要.
- 了解超协调结合是推进化学的关键.
- 化学中的α效应仍然是积极研究的领域.
研究的目的:
- 为了合成和描述新型化合物 (F3C) F2SiONMe2.2.
- 阐明-相互作用的结构和电子特性.
- 研究化学的影响,特别是阿尔法效应.
主要方法:
- 从LiONMe2和F3CSiF3.3.3中合成 (F3C) F2SiONMe2的合成方法
- 使用气体红外 (IR) 和多核溶液核磁共振 (NMR) 谱学和质谱学进行表征.
- 通过单晶X射线晶体学和气体电子衍射进行结构确定.
- 计算分析使用MP2/6-311++G(3df,2dp) 理论水平的曲潜力和原子电荷.
主要成果:
- 该化合物 (F3C) F2SiONMe2已成功合成和表征.
- 在固体和气体阶段观察到极度急剧的SiON角度和短的Si...N距离.
- 计算的原子电荷和电子密度拓学揭示了一个非经典的Si...N键,与dative键不同.
- 与相关的添加物 (F3C) F2(MeO) Si-NMe3 的比较,突出了电子性质的相似性和差异.
结论:
- 这项研究揭示了 (F3C) F2SiONMe2.2.中的一种新的非经典Si...N键.
- 观察到的结合和电子特性为理解化学中的α效应提供了一个新的模型.
- 这项工作扩大了对超协调化合物及其结合特性的理解.
相关概念视频
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.
Lewis Structures of Molecular Compounds and Polyatomic Ions
To draw Lewis structures for complicated molecules and molecular ions, it is helpful to follow a step-by-step procedure as outlined:
Valence Bond Theory
Overview of Valence Bond Theory
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...
Molecular Orbital Theory II
Molecular Orbital Energy Diagrams
Valence Bond Theory
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...


