Insertion reaction of carbon dioxide into Sn-OR bond. Synthesis, structure and DFT calculations of di- and tetranuclear isopropylcarbonato tin(IV) complexes

Dalton Trans. 2006 Nov 21:(43):5167-75. doi: 10.1039/b610812a. Epub 2006 Sep 28.

Abstract

The reaction of carbon dioxide with the stannane nBu2Sn(OiPr)2 and distannoxane [nBu2(iPrO)Sn]2O leads to the selective insertion into one Sn-OiPr bond generating the corresponding nBu2Sn(OiPr)(OCO2(i)Pr) and nBu2(iPrO)SnOSn(OCO2(i)Pr)nBu2 species. Both compounds are characterised by multinuclear NMR, FT-IR and single-crystal X-ray crystallography. In the solid state, they adopt a dimeric arrangement with bridging isopropoxy and terminal isopropylcarbonato ligands. The X-ray crystal structure of the dinuclear stannane shows that the Sn2O2 ring and the two Sn-OCO2C fragments are nearby coplanar. The same holds for the ladder-type tetranuclear distannoxane. The dimeric structures are also evidenced by solution NMR in non-coordinating solvents. Interestingly, the assignment of the exo and endo tin resonances of the dimeric distannoxane is unambiguous using a labeled 13CO2 experiment. The stability of the dimeric association has been probed in the stannane series on the basis of DFT calculations.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Carbon Dioxide / chemistry*
  • Crystallography, X-Ray
  • Magnetic Resonance Spectroscopy / methods
  • Models, Chemical*
  • Models, Molecular
  • Molecular Structure
  • Organotin Compounds* / chemical synthesis
  • Organotin Compounds* / chemistry
  • Sensitivity and Specificity
  • Stereoisomerism

Substances

  • Organotin Compounds
  • Carbon Dioxide