对含有{Fe3(μ3-O)}7+核心酸盐和酸盐复合物的实验和DFT研究
Nikolay Petkov1, Alia Tadjer1, Elzhana Encheva1,2
1Faculty of Chemistry and Pharmacy, Sofia University St. Kliment Ohridski, 1164 Sofia, Bulgaria.
Molecules (Basel, Switzerland)
|January 23, 2024
概括
这项研究报告了第一个与素和沙利诺米的铁III协调化合物. 合成的{Fe3O}7+核心复合体表现出独特的结构和光谱特性,通过各种分析技术得到证实.
科学领域:
- 无机化学 无机化学 有机化学
- 协调化学 协调化学
- 材料科学 材料科学 材料科学
背景情况:
- 铁 (III) 协调化合物在催化和医学中至关重要.
- 以氧为中心的三核铁集群具有独特的磁性和电子性质.
- 单素和盐素是具有金属复合的潜力的生物活性离子体.
研究的目的:
- 为了合成和表征新型铁 (III) 协调化合物,单酸和盐酸.
- 阐明这些新复合物的结构和光谱特性.
- 探索这些化合物的潜力,作为生物铁中心的模型.
主要方法:
- 铁 (III) 复合物的合成与素和沙利诺米.
- 物理化学和热分析 (FT-IR,TG-DTA,TG-MS) 进行.
- 光谱研究 (EPR,莫斯巴乌尔光谱,粉末XRD).
- 使用密度函数理论 (DFT) 的计算建模.
主要成果:
- 形成三核氧中心铁(III) 复合物,其公式为[Fe3(μ3-O) L3(OH) 4].
- 结构阐明揭示了一个{Fe3O}7+核心与双酸抗生素单离子和桥梁碳酸盐群.
- 光谱数据证实了高旋转铁 (Fe[O5]和Fe[O6]) 位点和每个集群的总旋转S=5/2.
结论:
- 首个铁 (III) 协调化合物 - - 蒙因素和沙利诺米成功合成和表征.
- 这些复合体呈现出独特的三核氧中心结构,具有铁离子的特定协调环境.
- 这些发现为铁与离子体抗生素的协调化学及其潜在应用提供了洞察力.
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
9.2K
06:53Author Spotlight: Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
Published on: June 9, 2023
2.0K
相关概念视频
03:02Colors and Magnetism
11.7K
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...
11.7K
02:42Valence Bond Theory
8.6K
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...
8.6K
00:43Complexometric Titration: Ligands
954
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...
954
03:45Formation of Complex Ions
23.6K
A type of Lewis acid-base chemistry involves the formation of a complex ion (or a coordination complex) comprising a central atom, typically a transition metal cation, surrounded by ions or molecules called ligands. These ligands can be neutral molecules like H2O or NH3, or ions such as CN− or OH−. Often, the ligands act as Lewis bases, donating a pair of electrons to the central atom. These types of Lewis acid-base reactions are examples of a broad subdiscipline called coordination...
23.6K
03:46Qualitative Analysis
22.4K
For solutions containing mixtures of different cations, the identity of each cation can be determined by qualitative analysis. This technique involves a series of selective precipitations with different chemical reagents, each reaction producing a characteristic precipitate for a specific group of cations. Metal ions within a group are further separated by varying the pH, heating the mixture to redissolve a precipitate, or adding other reagents to form complex ions.
For instance, group IV...
For instance, group IV...
22.4K
02:58Crystal Field Theory - Octahedral Complexes
26.5K
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...
26.5K