Related Experiment Video
Updated: May 3, 2026

Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser
Published on: June 28, 2018
Potential energy surfaces of WC6 clusters in different spin states
C Z Hadad1, Elizabeth Florez, Gabriel Merino
1Instituto de Química, Universidad de Antioquia UdeA , Calle 70 No. 52-21, Medellín, Colombia.
Abstract:
Stochastic explorations of the structural possibilities of neutral WC6 clusters in several spin states lead to very rich and complex potential energy surfaces, with geometries quite different from those of pure carbon clusters at the PBE0/def2-TZVP level. The global minimum is predicted to be a triplet-state semicyclic C6 conformation having every carbon in direct coordination to the W atom. Interaction energies are comparable to those of C7 clusters, revealing very strong W-C bonding. Our results suggest that C-C interactions in the clusters should be considered as intermediate between single and double bonds.
Related Concept Videos
Atomic Nuclei: Nuclear Spin State Overview
Valence Bond Theory
Valence Bond Theory
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...
Spin–Spin Coupling: One-Bond Coupling

