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Related Concept Videos

Properties of Transition Metals02:58

Properties of Transition Metals

26.7K
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.
26.7K
Metal-Ligand Bonds02:51

Metal-Ligand Bonds

21.3K
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...
21.3K
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

27.1K
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...
27.1K
Valence Bond Theory02:42

Valence Bond Theory

9.0K
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...
9.0K
Bonding in Metals02:32

Bonding in Metals

47.6K
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”. 
47.6K
Complexation Equilibria: Factors Influencing Stability of Complexes01:09

Complexation Equilibria: Factors Influencing Stability of Complexes

442
In complexation reactions, metal cations are the electron pair acceptors, and the ligands are the electron pair donors. The stability of the metal complexes depends primarily on the complexing ability of the central metal ion and the nature of the ligands. Generally, the complexing ability of the metal ion depends on the size and charge of the ion. As the metal ion size increases, the stability of the metal complexes decreases, provided that the valency of the metal ion and the ligands remain...
442

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Related Experiment Video

Updated: Aug 12, 2025

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
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Charting the Atomic C Interaction with Transition Metal Surfaces.

Oriol Piqué1, Iskra Z Koleva2, Albert Bruix1

  • 1Departament de Ciència de Materials i Química Física & Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, c/ Martí i Franquès 1, 08028 Barcelona, Spain.

ACS Catalysis
|January 31, 2023
PubMed
Summary
This summary is machine-generated.

Understanding carbon interactions with transition metal surfaces is key for catalysis. This study reveals that combining multiple descriptors, not just one, best predicts carbon adsorption and diffusion on these surfaces.

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Area of Science:

  • Surface Science
  • Heterogeneous Catalysis
  • Computational Chemistry

Background:

  • Carbon interaction with transition metal (TM) surfaces is crucial in catalysis, influencing poisoning, promotion, and carbide formation.
  • Early transition metal carbides are gaining importance as catalytic materials.

Purpose of the Study:

  • To provide a comprehensive navigation map of carbon interactions with TM surfaces.
  • To evaluate the suitability of various electronic descriptors for predicting thermodynamic and kinetic properties.
  • To explore the combined predictive power of multiple descriptors.

Main Methods:

  • High-throughput density functional calculations on 81 TM surfaces.
  • Analysis of 324 diffusion barriers.
  • Testing and correlation of electronic descriptors (e.g., d-band center) with adsorption energies.
  • Application of machine learning protocols.
  • Multivariable, polynomial, and random forest regression analyses.

Main Results:

  • The d-band center is the most suitable single descriptor for adsorption energies.
  • Machine learning highlights surface energy and coordination number.
  • Adsorption energies and energy differences are best for diffusion barriers.
  • Combining multiple descriptors improves the description of both thermodynamic and kinetic data.

Conclusions:

  • A single descriptor is insufficient for fully characterizing carbon-TM surface interactions.
  • A multi-descriptor approach offers a more accurate and holistic understanding.
  • This work provides a valuable resource for catalyst design and optimization.