Computational studies on the palladium-mediated oxidation of methanol to formaldehyde

  1. Sanmartín-Matalobos, Jesús 2
  2. Briones-Miguéns, Lucía 2
  3. Portela-García, Cristina 2
  4. García-Deibe, Ana 2
  5. Fondo, Matilde 2
  6. Lence, Emilio 1
  7. González-Bello, Concepcion 1
  1. 1 Centro Singular de Investigacion en Química Biológica y Materiales Moleculares (CIQUS), Universidad de Santiago de Compostela, Jenaro de la Fuente s/n, 15782 Santiago de Compostela, Spain.
  2. 2 Coordination and Supramolecular Chemistry Group (Suprametal), Institute of Materials (iMATUS), Department of Inorganic Chemistry, Faculty of Chemistry, Universidade de Santiago de Compostela, Avenida das Ciencias s/n, 15782 Santiago de Compostela, Spain
Actas:
Proceedings of The 17th International Electronic Conference on Synthetic Organic Chemistry

Ano de publicación: 2013

Tipo: Achega congreso

DOI: 10.3390/ECSOC-17-E010 GOOGLE SCHOLAR lock_openAcceso aberto editor

Resumo

We have carried out computational studies on the metal-mediated oxidation of methanol to formaldehyde using Pd(LSB)•3H2O, where LSB is the dianionic form of the Schiff base ligand N-{2-[(8-hydroxyquinolin-2-yl)methyleneamino]benzyl}-4-methylbenzenesulfonamide. With the aim of reducing the overall Gibbs energy of the global process, we have studied the replacement of hydroxymethoxymethyl by hydroxymethyl and aminomethyl groups at 2-position of the quinoline ring.