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相关概念视频

Stereoisomerism02:52

Stereoisomerism

Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula.
Transition metal complexes often exist as geometric isomers, in which the same atoms are connected through the same types of bonds but with differences in their orientation in space. Coordination complexes with two different ligands in the cis and trans positions from a ligand of interest form isomers. For example, the octahedral [Co(NH3)4Cl2]+ ion has two isomers (Figure 1) In the cis...

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Reliable Mechanochemistry: Protocols for Reproducible Outcomes of Neat and Liquid Assisted Ball-mill Grinding Experiments
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Published on: January 23, 2018

对低坐标铁二复合物的研究.

Jeremy M Smith1, Azwana R Sadique, Thomas R Cundari

  • 1Department of Chemistry, University of Rochester, Rochester, New York 14267, USA.

Journal of the American Chemical Society
|January 19, 2006
PubMed
概括

这项研究调查了铁复合物如何削弱二 (N2) 中的-键. 调查结果显示,合作性回结合和金属减少增强了N-N结合的削弱,这对于催化是至关重要的.

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科学领域:

  • 无机化学 无机化学
  • 有机金属化学 有机金属化学
  • 催化剂是一种催化剂.

背景情况:

  • 哈伯工艺依赖于铁催化剂来合成氨.
  • 酶中的FeMoco活性部位涉及铁相互作用.
  • 了解铁的N2激活是改善工业过程和生物固定的关键.

研究的目的:

  • 探索影响低坐标铁复合体中- (NN) 键减弱的因素.
  • 研究固体效应,氧化状态,金属和NN键激活的协调号的作用.
  • 提供与催化相关的N2裂变机制的见解.

主要方法:

  • 合成具有桥梁N2连接体 (FeNNFe核心) 的二铁复合体.
  • 使用X射线晶体学和共振拉曼光谱学的表征.
  • 计算分析包括密度函数理论 (DFT) 和多引用计算.

主要成果:

  • 在低坐标铁复合体中观察到NN键的减弱,由减少的N-N键顺序证明.
  • 确定了N2 pi轨道中的合作背链作为债券削弱的关键机制.
  • 证明增加铁协调数和减少金属进一步增强了NN债券疲软.

结论:

  • 低坐标铁复合物通过电子效应有效地削弱了NN键.
  • 金属的协调和减少在N2激活中起着重要的合作作用.
  • 这些发现为工业催化剂和生物系统相关的N2激活提供了基本的见解.