双胞胎充电辅助的四键在双二甲盐中的二甲
Miriam Calabrese1, Andrea Pizzi1, Andrea Daolio1
1NFMLab, Department of Chemistry, Materials, and Chemical Engineering "Giulio Natta", Politecnico di Milano, 20133 Milano, Italy.
Crystal growth & design
|July 10, 2023
概括
双二盐中的甲碳素充当双酸四键捐赠体,形成两个C(sp3) · · · 离子相互作用. 这一发现扩大了这些电友性位点在自我组装中的已知协调化学.
科学领域:
- 超分子化学 超分子化学
- 有机化学 有机化学
- 晶体学 晶体学是指结晶学.
背景情况:
- 碳(sp3) 原子通常在自我组装中充当单牙四键捐赠者.
- 之前的研究还没有证明涉及C ((sp3) 中心的双数据协调.
研究的目的:
- 为了研究双二甲基盐中甲基碳的协调行为.
- 提供实验和理论证据,证明二酸二烯酸四联接由C ((sp3)) 原子.
主要方法:
- 对bis-pyridinium甲基盐的X射线结构分析.
- 密度函数理论 (DFT) 计算来分析结合相互作用.
主要成果:
- 实验数据证实了短和定向的C ((sp3) · · · 离子相互作用.
- DFT的计算支持了甲基烯碳的双酸四键捐赠能力.
- 这些盐中的甲基碳作为双酸四键供体起作用.
结论:
- 这项研究表明了C(sp3) 原子的新型双酸协调模式.
- 双二烯甲盐是有效的双酸四键捐赠者.
- 这些发现扩大了对自我组装中的非共价相互作用的理解.
相关概念视频
Hybridization of Atomic Orbitals II
32.5K
sp3d and sp3d 2 Hybridization
32.5K
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
Aromatic Hydrocarbon Cations: Structural Overview
2.9K
Cycloheptatriene is a neutral monocyclic unsaturated hydrocarbon that consists of an odd number of carbon atoms and an intervening sp3 carbon in the ring. The three double bonds in the ring correspond to 6 π electrons, which is a Huckel number, and therefore satisfies the criteria of 4n + 2 π electrons. However, the intervening sp3 carbon disrupts the continuous overlap of p orbitals. As a result, cycloheptatriene is not aromatic.
Removing one hydrogen from the intervening CH2 group...
Removing one hydrogen from the intervening CH2 group...
2.9K
Molecular Shape and Polarity
60.7K
Dipole Moment of a Molecule
60.7K
Bond Polarity, Dipole Moment, and Percent Ionic Character
29.0K
Bond Polarity
29.0K
Crystal Field Theory - Tetrahedral and Square Planar Complexes
43.1K
Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
43.1K


