Related Experiment Video
Updated: Jun 16, 2026

Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
Published on: June 9, 2023
Two temperature-independent spinomers of the dinuclear Mn(III) compound
Verónica Gómez1, Montserrat Corbella, Gabriel Aullón
1Departament de Química Inorgànica, Facultat de Química, Universitat de Barcelona, Martí i Franquès 1-11, 08028 Barcelona, Spain.
Abstract:
Two spin isomers or spinomers of [{Mn(H(2)O)(phen)}(2)(mu-2-ClC(6)H(4)COO)(2)(mu-O)](ClO(4))(2) have been synthesized, characterized, and theoretically analyzed. The thermodynamically most stable, compound 1, shows a spin ground state S = 4, while the kinetically most favorable, compound 2.H(2)O, shows a spin ground state S = 0. Compound 1 exhibits ferromagnetic behavior, with J = 2.7 cm(-1), |D(Mn)| = 2.06 cm(-1), |E(Mn)| = 0.69 cm(-1), and zJ' = -0.11 cm(-1). Because of the anisotropy of the Mn(III) ions, the ground state S = 4 shows zero-field splitting (ZFS) with |D(4)| = 0.51 cm(-1), appreciably smaller than the D value for the single ion (D(Mn)), due to the relative orientations of the Jahn-Teller axes of both Mn(III) ions, which are quite perpendicular (102 degrees ). Compound 2.H(2)O shows antiferromagnetic coupling, with J = -12.6 cm(-1) (H = -JS(1).S(2) for both compounds). The formation of two spinomers has been explained by density functional theory (DFT) studies, which show that the stability of these compounds and their magnetic interaction are very sensitive to the rotation of the phenyl ring with respect to the carboxylate group of the 2-ClC(6)H(4)COO bridging ligand.
Related Concept Videos
Colors 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 eye.
¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR
¹H NMR: Interpreting Distorted and Overlapping Signals
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are slanted or...
Atomic Nuclei: Nuclear Spin State Population Distribution
Spin–Spin Coupling Constant: Overview
Qualitatively, any spin plus-half nucleus polarizes the spins of its electrons to the minus-half state. Consequently, the paired electron in the hydrogen–carbon bond must have a...
Stereoisomerism
Isomers are different chemical species that have the same chemical formula.
Transition metal complexes often exist as geometric isomers, in which the same atoms are connected through the same types of bonds but with differences in their orientation in space. Coordination complexes with two different ligands in the cis and trans positions from a ligand of interest form isomers. For example, the octahedral [Co(NH3)4Cl2]+ ion has two isomers (Figure 1) In the cis...

