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Valence Bond Theory

Valence Bond Theory

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...

Crystal Field Theory - Tetrahedral and Square Planar Complexes

Crystal Field Theory - Tetrahedral and Square Planar Complexes

Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...

Colors and Magnetism

Colors and Magnetism

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...

Crystal Field Theory - Octahedral Complexes

Crystal Field Theory - Octahedral Complexes

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...

Cycloaddition Reactions: MO Requirements for Thermal Activation

Cycloaddition Reactions: MO Requirements for Thermal Activation

Thermal cycloadditions are reactions where the source of activation energy needed to initiate the reaction is provided in the form of heat. A typical example of a thermally-allowed cycloaddition is the Diels–Alder reaction, which is a [4 + 2] cycloaddition. In contrast, a [2 + 2] cycloaddition is thermally forbidden.

EDTA: Auxiliary Complexing Reagents

EDTA: Auxiliary Complexing Reagents

EDTA titrations are usually carried out in highly basic conditions, where the fully deprotonated form of EDTA, Y4−, actively complexes with the free metal ions in the solution. Several metal ions precipitate as hydrous oxide (hydroxides, oxides, or oxyhydroxides) under these conditions, lowering the concentration of free metal ions in the solution. For this reason, auxiliary complexing agents or ligands such as ammonia, tartrate, citrate, or triethanolamine are used in EDTA titrations to...

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Related Experiment Video

Updated: Oct 7, 2025

Application of Elemental Lanthanides in the Selective C-F Activation of Trifluoromethylated Benzofulvenes Providing Access to Various Difluoroalkenes

Application of Elemental Lanthanides in the Selective C-F Activation of Trifluoromethylated Benzofulvenes Providing Access to Various Difluoroalkenes

Published on: July 28, 2018

CO, CO₂ and CS₂ activation by divalent ytterbium hydrido complexes.

Xianghui Shi¹, Thayalan Rajeshkumar², Laurent Maron²

¹State Key Laboratory of Polymer Physics and Chemistry Changchun Institute of Applied Chemistry, Chinese Academy of Sciences No. 5625, Renmin Street, Changchun 130022, China. jhcheng@ciac.ac.cn.

Chemical Communications (Cambridge, England)

|January 6, 2022

Summary

Divalent ytterbium hydride reacts with carbon oxides and disulfide. This forms new ytterbium ethenediolate, formate, and ethenetetrathiolate complexes, revealing novel organometallic chemistry.

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Synthesis of Core-shell Lanthanide-doped Upconversion Nanocrystals for Cellular Applications

Synthesis of Core-shell Lanthanide-doped Upconversion Nanocrystals for Cellular Applications

Published on: November 10, 2017

Area of Science:

Organometallic Chemistry
Inorganic Chemistry
Coordination Chemistry

Background:

Ytterbium complexes are valuable in catalysis and materials science.
Understanding the reactivity of low-valent lanthanide complexes is crucial for developing new synthetic methodologies.

Purpose of the Study:

To investigate the reactivity of a divalent ytterbium hydride complex with small carbon-containing molecules.
To synthesize and characterize novel ytterbium complexes derived from reactions with CO, CO2, and CS2.
To elucidate reaction mechanisms using computational methods.

Main Methods:

Synthesis and characterization of ytterbium complexes.
Reactions of a divalent ytterbium hydride complex with carbon monoxide (CO), carbon dioxide (CO2), and carbon disulfide (CS2).
Density Functional Theory (DFT) calculations to study reaction pathways.

Main Results:

Formation of a divalent ytterbium ethenediolate complex from reaction with CO.
Synthesis of a formate complex from reaction with CO2.
Generation of a trivalent ytterbium ethenetetrathiolate complex from reaction with CS2.

Conclusions:

The divalent ytterbium hydride complex exhibits diverse reactivity towards CO, CO2, and CS2.
Novel organometallic complexes of ytterbium were successfully synthesized.
DFT calculations provide insights into the reaction mechanisms.