N-异环碳素-Ag (I) -氨酸复合物:通过密度功能理论进行全面的合成,表征和结合分析
Abdollah Neshat1, Mohammad Reza Yousefshahi1, Mahdi Cheraghi1
1Department of Chemistry, Institute for Advanced Studies in Basic Sciences (IASBS), 444 Prof. Sobouti Blvd, Gava Zang, Zanjan 45137-66731, Iran.
含有素连接体的银 (I) 复合物比金 (I) 复合物不那么稳定. 像PCy3和PPh2Py这样的特定配体可以稳定溶液中的阴离子银碎片,从而影响复杂的形成.
科学领域:
- 协调化学 协调化学
- 有机金属化学 有机金属化学
- 无机化学 无机化学 有机化学
背景情况:
- 银 ((I) 复合物在催化和材料科学中至关重要.
- 了解异构银复合物的稳定性和反应性是必不可少的.
- 与类似的黄金 (I) 复合物进行比较,为电子和硬质效应提供了有价值的见解.
研究的目的:
- 研究 (IPr) -Ag-Cl中的联体与各种联体的替代.
- 为了评估由此产生的溶液中的异质 silver (I) 复合物的稳定性.
- 阐明影响这些复合物的形成和结构的因素.
主要方法:
- 银 (I) 复合物的合成和表征.
- 在不同条件下的溶液稳定性研究 (反应剂顺序,溶剂,时间).
- 单晶X射线衍射用于结构确定.
- 密度函数理论 (DFT) 计算用于电子结构分析.
主要成果:
- 与金I) 类似物相比,异构银I) 复合物[IPr]-Ag-PR3]+的溶液稳定性较低.
- 只有PCy3和PPh2Py有效地稳定了化银碎片在甲醇溶液中.
- 单晶X射线衍射揭示了在复合体1和2中的Ag (I) 中心周围的线性几何形状.
- DFT分析提供了有关电子转换,非共价相互作用和结合的见解.
结论:
- 异质 silver ((I) 复合物的稳定性高度依赖于素联体和反应条件.
- 特定的氨酸连接物对于稳定溶液中的阴阳银碎片至关重要.
- 结构和计算分析提供了对这些银 (I) 复合体的全面了解.
更多相关视频
19:58Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions
Published on: July 30, 2017
10:51The Synthesis, Characterization and Reactivity of a Series of Ruthenium N-triphosPh Complexes
Published on: April 10, 2015
相关概念视频
Hybridization of Atomic Orbitals II
Basicity of Heterocyclic Aromatic Amines
Valence Bond Theory
Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
Electrophilic Addition to Alkynes: Halogenation
Halogenation is another class of electrophilic addition reactions where a halogen molecule gets added across a π bond. In alkynes, the presence of two π bonds allows for the addition of two equivalents of halogens (bromine or chlorine). The addition of the first halogen molecule forms a trans-dihaloalkene as the major product and the cis isomer as the minor product. Subsequent addition of the second equivalent yields the tetrahalide.
Predicting Molecular Geometry
