铁二化物,单化物和中性联体复合物的电子结构:结构,光谱和计算研究的综合研究
Suzanne C Bart1, Krzysztof Chłopek, Eckhard Bill
1Department of Chemistry and Chemical Biology, Baker Laboratory, Cornell University, Ithaca, New York 14853, USA.
Journal of the American Chemical Society
|October 19, 2006
概括
这项研究表明,降解铁双胺化合物主要将电子转移到连接体,而不是金属. 这种电子行为对于理解它们的磁性和催化反应中的反应性至关重要.
科学领域:
- 有机金属化学 有机金属化学
- 协调化学 协调化学
- 频谱学是一种光谱学.
- 计算化学的计算化学
背景情况:
- 在协调化学中,双胺连体是多功能性的.
- 铁复合物与这些配体对催化和材料科学有兴趣.
- 了解减少铁复合体的电子结构是它们功能的关键.
研究的目的:
- 为了研究铁 bis ((imino) pyridine化合物的电子结构.
- 为了确定在减少时电子转移的位置.
- 为了将电子结构与磁性和光谱数据相关联.
主要方法:
- 光谱技术 (例如,莫斯巴乌尔光谱学,NMR光谱学).
- 磁性测量. 磁性测量. 磁性测量. 磁性测量. 磁性测量.
- 计算化学 (DFT计算) 计算化学 (DFT计算) 计算化学 (DFT计算) 计算化学 (DFT计算) 计算化学 (DFT计算) 计算化学 (DFT计算) 计算化学 (DFT计算) 计算化学 (DFT计算)
主要成果:
- 在母二甲基和单甲基化合物中观察到高旋转铁.
- 减少导致结合体中心的基质形成,与铁中心的抗铁磁合.
- 进一步的降解会产生一个bis(imino) 皮里丁二基,铁仍然是铁的 (中间旋转).
- 电子转移顺序地发生在联体的pi系统中,而不是金属中心.
结论:
- 双胺胺联体的结合的pi系统是减少的主要部位.
- 电子结构和自旋状态是通过联结物减少和合到铁中心来调节的.
- 这些发现提供了对铁二氧化复合物的氧化还原行为的基本见解.
更多相关视频
11:04Ion Mobility-Mass Spectrometry Techniques for Determining the Structure and Mechanisms of Metal Ion Recognition and Redox Activity of Metal Binding Oligopeptides
Published on: September 7, 2019
06:31Preparation of SNS Cobalt(II) Pincer Model Complexes of Liver Alcohol Dehydrogenase
Published on: March 19, 2020
相关概念视频
02:42Valence 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...
02:51Metal-Ligand Bonds
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...
02:34Structural Isomerism
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 be...
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 be...
02:58Crystal Field Theory - Octahedral Complexes
Crystal Field Theory
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...
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...
03:02Colors and Magnetism
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 eye.
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 eye.
00:43Complexometric Titration: Ligands
Different monodentate and polydentate ligands are used as complexing agents in complexometric titration reactions. The formation of complexes by mono- and bidentate ligands involves two or more intermediate steps, limiting their use as complexing agents. In comparison, polydentate ligands can form complexes with metal ions in a single-step process, facilitating sharper end points. This means polydentate ligands, such as amino carboxylic acid derivatives, are most commonly employed in...