ESR- und ENDOR-untersuchungen paramagnetischer zinnkomplexe und strukturanalyse von 3,5-di-t-butyl-1,2-phenylendioxi-bis(o-trifluormethyl-phenyl)-(methanol)zinn(IV)

Triorganyltin compounds react with catechols in organic solvents in the presence of atmospheric oxygen to give at first paramagnetic complexes. The ESR and ENDOR spectra show ¹H, ¹⁹F, ¹¹⁷Sn and ¹¹⁹Sn splittings. The hyperfine structures observed prove that the triorganyltin cations are chelated by o-benzosemiquinone. As the final product of these reactions, diamagnetic compounds can be isolated. As an example, the structure of 3,5-di-t-butyl-1,2-phenylenedioxy-bis(o-trifluoromethyl-phenyl)methanol-tin(IV) was determined by X-ray crystallography. The monomeric compound crystallizes in the space group P$\text{1}$ with a 10.451, b 11.905, c 15.379 Å, α 96.42, β 104.17, γ 111.43° and Z = 2. The penta-coordinated tin atom is 0.5 Å above the phenylenedioxy plane, which occupies one equatorial and one axial coordination site. The second axial position is occupied by the solvent methanol.