Ontology highlight
ABSTRACT:
SUBMITTER: Virant M
PROVIDER: S-EPMC11311126 | biostudies-literature | 2024 Aug
REPOSITORIES: biostudies-literature
Virant Miha M Štrbac Petar P Krawczuk Anna A Milašinović Valentina V Stanić Petra P Lozinšek Matic M Molčanov Krešimir K
Crystal growth & design 20240722 15
The dimer of the tetracyanoethylene (TCNE) radical anions represents the simplest and the best studied case of two-electron multicenter covalent bonding (2e/mc or <i>pancake bonding</i>). The model compound, <i>N</i>-methylpyridinium salt of TCNE<sup>•-</sup>, is diamagnetic, meaning that the electrons in two contiguous radicals are paired and occupy a HOMO orbital which spans two TCNE<sup>•-</sup> radicals. Charge density in this system is studied as a benchmark for comparison of charge densiti ...[more]