Related Experiment Video
Updated: Jan 30, 2026

The Modified Temptation Resistance Task: A Paradigm to Elicit Children's Strategic Lie-telling
Published on: April 6, 2018
The Irony of Manganocene: An Interplay between the Jahn-Teller Effect and Close-Lying Electronic and Spin States
Stepan Stepanović1, Matija Zlatar1, Marcel Swart2,3
1Department of Chemistry, Institute of Chemistry, Technology and Metallurgy , University of Belgrade , Studentski trg 12-16 , Belgrade , Serbia.
Abstract:
Although the unusual structural, magnetic, electronic, and spin characteristics of manganocene has intrigued scientists for decades, a unified explanation and rationalization of its properties has not yet been provided. Results obtained by Multideterminantal Density Functional Theory (MD-DFT), Energy Decomposition Analysis (EDA), and Intrinsic Distortion Path (IDP) methodologies indicate how this uniqueness can be traced back to the manganocene's peculiar electronic structure, mainly, the degenerate ground state and close-lying electronic and spin states.
Related Concept Videos
NMR Spectroscopy: Spin–Spin Coupling
Spin–Spin Coupling: One-Bond Coupling
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...
Electron Orbital Model
The first shell is closest to the nucleus, and it has only one subshell with a single spherical orbital called the...
Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)
The central atom need not be NMR-active because its electrons are affected by the electron polarization of the spin-active atoms. However, spin information is transmitted less effectively than in one-bond coupling, and 2J values are usually weaker than 1J values. The energy of...
Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)
The extent of coupling depends on the C‑C bond length, the two H‑C‑C angles, any electron-withdrawing substituents, and the dihedral angle between the involved orbitals. The...

