om700576n_si_003.cif (33.51 kB)

Organotin(IV) Derivatives of Some O,C,O-Chelating Ligands. Part 2

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posted on 07.05.2020 by Libor Dostál, Roman Jambor, Aleš Růžička, Ivana Císařová, Jaroslav Holeček, Monique Biesemans, Rudolph Willem, Frank De Proft, Paul Geerlings
A new O,C,O-chelating ligand [2,6-C6H3(CH2OEt)2]- and its organotin(IV) derivatives, LSnPh3, LSnPh2Cl, and LSnPhCl2 (46), were prepared and structurally characterized in solution as well as in the solid state by NMR and XRD techniques. The structure of these compounds was compared to those of analogous compounds containing ligands of the type [2,6-C6H3(CH2OR)2]-, where R = Me, i-Pr, and t-Bu, on the basis of various NMR spectral parameters, mainly on nJ(1H−119Sn) long-range couplings, solid-state structure determinations, and theoretical calculations at the B3LYP/LANL2DZ level. All of these methods showed that the structure is similar in all three phases (solid, solution, and in silico), but that it dramatically depends on the R substituent in the O,C,O-pincer ligand.

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