Conformational study of the open-chain and furanose structures of D-erythrose and D-threose.

@article{Azofra2012ConformationalSO,
  title={Conformational study of the open-chain and furanose structures of D-erythrose and D-threose.},
  author={Luis Miguel Azofra and Ibon Alkorta and Jos{\'e} Elguero and Paul L. A. Popelier},
  journal={Carbohydrate research},
  year={2012},
  volume={358},
  pages={96-105}
}
The potential energy surfaces for the different configurations of the D-erythrose and D-threose (open-chain, α- and β-furanoses) have been studied in order to find the most stable structures in the gas phase. For that purpose, a large number of initial structures were explored at B3LYP/6-31G(d) level. All the minima obtained at this level were compared and duplicates removed. A further reoptimization of the remaining structures was carried out at B3LYP/6-311++G(d,p) level. We characterized 174… CONTINUE READING