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相关概念视频

Bonding in Metals02:32

Bonding in Metals

Metallic bonds are formed between two metal atoms. A simplified model to describe metallic bonding has been developed by Paul Drüde called the “Electron Sea Model”.
Properties of Transition Metals02:58

Properties of Transition Metals

Transition metals are defined as those elements that have partially filled d orbitals. As shown in Figure 1, the d-block elements in groups 3–12 are transition elements. The f-block elements, also called inner transition metals (the lanthanides and actinides), also meet this criterion because the d orbital is partially occupied before the f orbitals.
Theory of Metallic Conduction01:17

Theory of Metallic Conduction

The conduction of free electrons inside a conductor is best described by quantum mechanics. However, a classical model makes predictions close to the results of quantum mechanics. It is called the theory of metallic conduction.
In this theory, Newton's second law of motion is used to determine the acceleration of an electron in the presence of an applied electric field. Then, its velocity is expressed via this acceleration.
An electron moves through the crystal, containing positive ions,...
Transition State Theory01:25

Transition State Theory

Transition-state theory, also known as activated-complex theory, provides a molecular-level explanation of reaction rates in both gas-phase and solution-phase reactions. It extends earlier kinetic models by considering the formation of a short-lived, high-energy configuration during a reaction.The progress of a chemical reaction can be represented using a reaction profile, which plots potential energy against the reaction coordinate. As two reactant molecules approach one another, their...
Heterogeneous Catalysis01:22

Heterogeneous Catalysis

Heterogeneous catalysis involves a catalyst in a different phase from the reactants. It is a process where the catalyst and the reactants are in distinct phases, typically solid and gas or liquid.Most heterogeneous catalysts are metals, metal oxides, or acids. The list includes transition metals like iron (Fe), cobalt (Co), nickel (Ni), palladium (Pd), platinum (Pt), chromium (Cr), manganese (Mn), tungsten (W), silver (Ag), and copper (Cu). These metals possess partially vacant d orbitals that...
Social Exchange Theory01:26

Social Exchange Theory

As formulated by John Thibaut and Harold Kelley, Social Exchange Theory explains human relationships as economic-like exchanges that maximize rewards and minimize costs. This theory suggests that individuals engage in relationships to gain benefits and reduce burdens, similar to economic transactions. It has been widely applied to various types of relationships, including romantic, professional, and social interactions.Rewards and Costs in RelationshipsRelationship rewards include emotional...

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相关实验视频

Updated: Jun 25, 2026

Ethylene Polymerizations Using Parallel Pressure Reactors and a Kinetic Analysis of Chain Transfer Polymerization
07:28

Ethylene Polymerizations Using Parallel Pressure Reactors and a Kinetic Analysis of Chain Transfer Polymerization

Published on: November 27, 2015

过渡金属-碳复合物. 过渡金属-碳复合物. 一个理论研究研究.

Andreas Krapp1, Krishna K Pandey, Gernot Frenking

  • 1School of Chemical Sciences, Devi Ahilya University Indore, Indore-452017, India.

Journal of the American Chemical Society
|May 29, 2007
PubMed
概括
此摘要是机器生成的。

含碳联体的鲁和铁复合物表现出强大的金属碳键,特别是在16电子价值 (16VE) 物种中. 金属-碳键比金属-碳基键更强,16VE复合体比18电子-价值 (18VE) 复合体具有更大的稳定性.

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Last Updated: Jun 25, 2026

Ethylene Polymerizations Using Parallel Pressure Reactors and a Kinetic Analysis of Chain Transfer Polymerization
07:28

Ethylene Polymerizations Using Parallel Pressure Reactors and a Kinetic Analysis of Chain Transfer Polymerization

Published on: November 27, 2015

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
10:57

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction

Published on: April 10, 2018

Synthesis of Triazole and Tetrazole-Functionalized Zr-Based Metal-Organic Frameworks Through Post-Synthetic Ligand Exchange
04:51

Synthesis of Triazole and Tetrazole-Functionalized Zr-Based Metal-Organic Frameworks Through Post-Synthetic Ligand Exchange

Published on: June 23, 2023

科学领域:

  • 有机金属化学 有机金属化学
  • 计算化学的计算化学
  • 无机化学 无机化学

背景情况:

  • 研究金属-连接体结合对于理解化学反应性至关重要.
  • 和铁复合物与碳联体具有兴趣,因为它们的潜在应用.

研究的目的:

  • 为了确定16和18电子价值 (16VE和18VE) 和铁复合物的平衡几何和键解离能,用一个裸体碳联体.
  • 为了比较金属-碳键与金属-碳结的强度.
  • 使用电荷和能量分解分析 (EDA) 分析结合相互作用.

主要方法:

  • 在BP86/TZ2P层面的密度函数理论 (DFT).
  • 使用 TZ2P 基础集进行单元和双元 (CCSD(T)) 的结合集群计算.
  • 能量分解分析 (EDA).

主要成果:

  • 16VE碳 (Ru-C) 键比铁碳 (Fe-C) 键更强.
  • 18VE复合体中的金属碳键比16VE物种中的金属碳键弱.
  • 金属-碳键比金属-碳基键强得多.
  • 18VE铁复合物比18VE复合物具有更高的键解离能 (BDE),而16VE化合物则呈现相反的趋势.

结论:

  • 16VE复合体中强大的Ru-C和Fe-C键是通过金属-C西格玛相互作用稳定的.
  • 在18VE复合体中的结合更好地被封闭的外供体-受体相互作用描述.
  • 金属-碳和金属-碳结合相互作用的性质是相似的,但对于碳复合体,绝对能量值较大.
  • 与16VE化合物相比,18VE化合物表现出较长和较弱的金属-碳和金属-碳结合.