Abstract: Di-n-buyltin di-o-chlorobenzoate {[n-Bu2Sn(O2CC10H9)]2O}2 was synthesized by a microwave assisted solidstate synthesis. Its structure has been determined by X-ray single crystal diffraction. The crystal belongs to the triclinic space group P1 with a=1.17653(4) nm, b=1.20672(4) nm, c=2.74090(9) nm, α=80.493(2)°, β=83.995(2)°, γ=64.260(2)°, V=3.4547(2) nm3, Z=2， Dc=1.525 g/cm3, μ(MoKα)=16.34 cm-1, F(000)=1.592, R1=0.0414, wR2=0.1349. In the complex, the tin atoms are five-coordinated in a distorted tigonal bipyram idalstructure, and the dimeric structure constitutes a Sn2O2 planar. Theoretical study on the title complex has been performed using a quantum chemistry calculation by means of G98W package and taking LANL2DZ basis set. The stabilities of the complex, the orbital energies and composition characteristics of some frontier molecular orbitals were presented.

Key words: Microwave assisted solid-state synthesis, Dialkyltin o-chlorobenzoate, Crystal structure, ab initio method