Stable 1,3,2-Benzodithiazolyl Radicals: Modification of Reactivity, Crystal Packing, and Solid State Magnetic Properties by Fluorination.

ABSTRACT: Impact of fluorination on crystal and molecular structure, heteroatom reactivity, and solid-state magnetic properties of thermally-stable π-radicals is studied experimentally and computationally with 1,3,2-benzodithiazolyl 1^· and its 4,7-difluoro, 4,5,6,7-tetrafluoro, and 4,7-difluoro-5,6-(hexafluoropropane-1,3-diyl) derivatives 2^·-4^·, respectively. Radicals 2^·-4^· are isolated by vacuum thermolysis of their unusual covalent 2:1 adducts with 7,7,8,8-tetracyanoquinodimethane. The impact of fluorination on reactivity is evidenced by transformation of 2^·-4^· and 2⁺-4⁺ into corresponding 2H-1-oxo-1,3,2-benzodithiazoles under the influence of air's or solvents' moisture; back transformation into the

SUBMITTER: Buravlev AA 

PROVIDER: S-EPMC12936988 | biostudies-literature | 2026 Mar

REPOSITORIES: biostudies-literature