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Related Concept Videos

Properties of Transition Metals02:58

Properties of Transition Metals

29.9K
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.
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SN2 Reaction: Transition State02:26

SN2 Reaction: Transition State

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An SN2 reaction of an alkyl halide is a single-step process in which bond formation between the nucleophile and the substrate and bond breaking between the substrate and the halide occurs simultaneously through a transition state without forming an intermediate.
When the nucleophile approaches the electrophilic carbon with its lone pairs, the halide acts as a leaving group and moves away with the electron-pair bonded to the carbon. Dotted partial bonds represent the bonds being formed or broken...
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Ions and Ionic Charges

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In ordinary chemical reactions, the nucleus — which contains the protons and neutrons of each atom and thus identifies the element — remains unchanged. Electrons, however, can be added to atoms by transfer from other atoms, lost by transfer to other atoms, or shared with other atoms. The transfer and sharing of electrons among atoms govern the chemistry of the elements. During the formation of some compounds, atoms gain or lose electrons to form electrically charged particles called...
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Atomic Radii and Effective Nuclear Charge03:08

Atomic Radii and Effective Nuclear Charge

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The elements in groups of the periodic table exhibit similar chemical behavior. This similarity occurs because the members of a group have the same number and distribution of electrons in their valence shells.
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Bonding in Metals

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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”. 
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Phase Transitions02:31

Phase Transitions

23.2K
Whether solid, liquid, or gas, a substance's state depends on the order and arrangement of its particles (atoms, molecules, or ions). Particles in the solid pack closely together, generally in a pattern. The particles vibrate about their fixed positions but do not move or squeeze past their neighbors. In liquids, although the particles are closely spaced, they are randomly arranged. The position of the particles are not fixed—that is, they are free to move past their neighbors to...
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Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
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Infrared-Driven Charge-Transfer in Transition Metal-Containing B12X122- (X = H, F) Clusters.

Isaac J S De Vlugt1, Michael J Lecours1, Patrick J J Carr1

  • 1Department of Chemistry , University of Waterloo , Waterloo , Ontario N2L 3G1 , Canada.

The Journal of Physical Chemistry. A
|August 16, 2018
PubMed
Summary

This study investigates metal-ligand clusters using DFT and IRMPD spectroscopy. Charge-transfer properties of hydrogenated and fluorinated boron cages reveal insights into their stability and reactivity under infrared irradiation.

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Accessing Valuable Ligand Supports for Transition Metals: A Modified, Intermediate Scale Preparation of 1,2,3,4,5-Pentamethylcyclopentadiene
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Area of Science:

  • Inorganic Chemistry
  • Computational Chemistry
  • Spectroscopy

Background:

  • Metal-ligand clusters incorporating boron cages (B12X12^2-, X=H, F) are of interest for their unique electronic and structural properties.
  • Understanding charge-transfer dynamics within these clusters is crucial for predicting their reactivity and potential applications.

Purpose of the Study:

  • To investigate the charge-transfer properties of metal-ligand clusters containing B12H12^2- and B12F12^2- anions.
  • To compare the infrared multiple photon dissociation (IRMPD) behavior of hydrogenated and fluorinated boron cages when complexed with various transition metals.
  • To explore the IR-induced charge-transfer mechanisms in mixed-cage complexes.

Main Methods:

  • Density Functional Theory (DFT) calculations were performed to model the electronic structure and properties of the clusters.
  • Infrared Multiple Photon Dissociation (IRMPD) spectroscopy was used to probe the fragmentation patterns and stability of the clusters upon IR irradiation.

Main Results:

  • IRMPD of [TM·(B12H12)]- and [TM·(B12H12)2]2- clusters resulted in hydride abstraction, forming B12H11- and B12H12-.
  • IRMPD of mixed-cage [TM(B12H12)(B12F12)]2- complexes showed charge-transfer to the central metal cation, with B12F12- formation dominating for Co(II) and Ni(II) complexes.
  • Zn(II) and Cd(II) mixed-cage complexes exhibited H/F scrambling and cage fusion, indicating different dissociation pathways.

Conclusions:

  • The charge-transfer properties of metal-boron cage complexes are influenced by the nature of the boron cage substituents (H vs. F) and the central metal cation.
  • IRMPD spectroscopy is a powerful tool for elucidating charge-transfer mechanisms and fragmentation pathways in these complex systems.
  • The observed differences in fragmentation patterns highlight the distinct electronic interactions between different metal ions and the boron cages.