Related Experiment Video
Updated: May 2, 2026
Chemical Vapor Deposition of an Organic Magnet, Vanadium Tetracyanoethylene
Published on: July 3, 2015
Quantitative calculation of magnetic and electric properties in a d(2)–d(3) mixed-valence vanadium dimer complex
Abstract:
The electronic structure and magnetic properties in the mixed-valence d(2)-d(3) vanadium dimer complex ((PY5Me(2))(2)V(2)(μ-5, 6-dmbzim))(4+) under an electric field are investigated by using the density functional theory and the effective Hamiltonian method. With the aim of controlling the localization-delocalization of the excess electron, an electric field is applied in the direction along the two vanadium atoms. The ground state changes with an increase of the electric field from the highest spin S D 5=2 state to the intermediate spin S D 3=2 state, and then it changes to the lowest spin S D 1=2 state. Thus, in this realistic mixed-valence dimer system, the possibility of controlling the spin state by using the electric field is shown. Various magnetic and electric properties of this mixed-valence dimer complex are also calculated using our effective Hamiltonian. The methodology in this paper is quite general and is a useful approach for the calculation of electronic structures in various magnetic complexes.
More Related Videos
Related Concept Videos
02:42Valence Bond Theory
03:02Colors and Magnetism
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...
02:46Crystal Field Theory - Tetrahedral and Square Planar 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...
02:58Crystal Field Theory - Octahedral Complexes
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...
01:24Potential Due to a Magnetized Object
The vector...
01:27Calculations of Electric Potential II
Consider a...