Mapping structure–property relationships in a 6-oxo-verdazyl radical by variable pressure crystallography and density functional theory

Brookes, J.R.; Kumar, V.J.; Jones, I.M.; Summers, A.M.; Bird, S.A.; Low, P.J.; Moggach, S.A.; Spagnoli, D.

doi:10.1107/S2052520626006220

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 1
(a) Schematic representations of the generic 6-oxo-verdazyl core (left), the 1,5-tolyl-3-phenyl-6-oxo-verdazyl radical, pTolOV (right). (b) The atomic numbering used in this work. Note: hydrogen atoms are numbered according to their bonded carbon atom. (c) The π* SOMO of the verdazyl core.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 82| Part 4| August 2026|

https://doi.org/10.1107/S2052520626006220

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