The Effect of Solvent on the Dipole Moments for Organotin(IV) Complexes

The effect of solvent on the dipole moments for (chloromethyl) stannanes has been investigated by applying EHT calculation for the isomers of trigonal bipyramidal Sn(Ⅳ) and Sn(Ⅳ) , octahedral Sn(Ⅳ) and (Ⅳ) 2X type complexes in dioxane and ethylacetate solutions (X: dioxane or ethylacetate). For Sn(Ⅳ) in dioxane solution, the calculated dipole moment for the trigonal bipyramidal Sn(Ⅳ) type complex [isomer (b)] is closer to the experimental dipole moment than octahedral Sn(Ⅳ)2X type complexes. This calculated dipole moment suggests that Sn(Ⅳ) may have the trigonal bipyramidal structure in dioxane solution. However, the calculated dipole moment for octahedral Sn(Ⅳ) (Cl)2X type complex [Isomer (d)], ClSn(Ⅳ)(CH2Cl)32X type complex [Isomer(k)] and Cl2Sn(Ⅳ)(CH2Cl)22X type complex [Isomer(h)] are closer to the experimental dipole moments than other isomers for octahedral complexes and trigonal bipyramidal complexes. Such theoretical results indicate that (Ⅳ )(), ClSn(Ⅳ) and (Ⅳ) complexes may have octahedral structures, Isomer(d), (k) and (h) in ethylacetate solution, respectively.