的结构和电子性质 (II) 协调复合体
Shaydel M Purcell1, Eric W Reinheimer2, Jamie S Ritch1
1Department of Chemistry, The University of Winnipeg, 515 Portage Ave, Winnipeg, MB R3B 2E9, Canada.
Acta crystallographica. Section C, Structural chemistry
|November 26, 2025
概括
这项研究介绍了新的 (II) 协调复合物与氨酸配体,揭示了它们的结构化学和-键强度的洞察力. 这些发现有助于理解金属复合体中的协调模式.
科学领域:
- 无机化学 无机化学
- 协调化学 协调化学
- 结构化学 结构化学
背景情况:
- 尿素配体表现出多样化的结构化学.
- 报道中很少有涉及和氨酸配体的协调复合体.
- 伊米达-2-塞隆是一种具有协调化学潜力的尿素配体.
研究的目的:
- 为了合成和表征新的 (((II) 协调复合物与1,3-二甲基替代的伊米达-2-联体.
- 为了研究这些新的复合物的固态结构.
- 将观察到的协调模式与现有文献进行比较,并探索影响-键强度的因素.
主要方法:
- 使用两种不同的结晶技术合成 (II) 复合物.
- 单晶X射线衍射分析以确定复合物的固态结构.
- 密度函数理论 (DFT) 的计算用于评估-键强度.
主要成果:
- 确定了二二 ((1,3-二甲基利米达-2-二-κSe) ((II) 和二二 ((1,3-二二利米达-2-二-κSe) ((II) 的固态结构.
- 复合物主要表现出尿素配体的终端结合模式,与晚期d块金属中常见的桥梁模式形成鲜明对比.
- DFT的计算表明了-键强度的趋势:对于1,3-二甲基替代的伊米达-2-塞隆,Me Et < iPr.
结论:
- 该研究成功合成并对新的 (II) - 尿素复合物进行了结构性特征.
- 这些发现突出了在这些特定的复合物中偏爱终端协调模式的情况.
- 与替代相关的-键强度的明确趋势在计算上被确立,提供了有价值的结构-属性关系.
更多相关视频
相关概念视频
02:42Valence Bond Theory
11.1K
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...
11.1K
02:34Structural Isomerism
21.4K
Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can...
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can...
21.4K
02:51Metal-Ligand Bonds
23.9K
The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
23.9K
03:02Colors and Magnetism
13.9K
Color in Coordination Complexes
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
13.9K
02:54Coordination Compounds and Nomenclature
26.1K
In most main group element compounds, the valence electrons of the isolated atoms combine to form chemical bonds that satisfy the octet rule. For instance, the four valence electrons of carbon overlap with electrons from four hydrogen atoms to form CH4. The one valence electron leaves sodium and adds to the seven valence electrons of chlorine to form the ionic formula unit NaCl (Figure 1a). Transition metals do not normally bond in this fashion. They primarily form coordinate covalent bonds, a...
26.1K
02:57Coordination Number and Geometry
18.8K
For transition metal complexes, the coordination number determines the geometry around the central metal ion. Table 1 compares coordination numbers to molecular geometry. The most common structures of the complexes in coordination compounds are octahedral, tetrahedral, and square planar.
18.8K