On the molecular and electronic structure of matrine-type alkaloids

  title={On the molecular and electronic structure of matrine-type alkaloids},
  author={Vinicio Galasso and Fioretta Asaro and Federico Berti and Barbara Pergolese and Branka Kova{\vc} and Fabio Pichierri},
  journal={Chemical Physics},
Abstract A systematic study of the molecular and electronic structure of the eight possible members in the trans -matrine series and of two dehydro-derivatives, sophocarpine and sophoramine, has been performed. According to density functional theory (DFT) calculations these alkaloids exhibit a variety of form and junction of the four six-membered rings and all but sophocarpine have a strong preference for one conformation. Sophocarpine is predicted to have a marked conformational flexibility at… Expand
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