The Use of MO Calculations to Teach Students Some Concepts of Aromatic Substitution Reactions

• Petrus Zeegers ^[1]
  1. [1] Flinders University

     Flinders University

     Australia

     
• Localización: Journal of chemical education, ISSN 0021-9584, Vol. 74, Nº 3 (March), 1997, págs. 299-301
• Idioma: inglés
• Texto completo no disponible (Saber más ...)
• Resumen

  • The theoretical basis of chemistry and the experimental laboratory aspects, unfortunately for many undergraduate students and for many frustrated chemistry educators, often remain two quite separate aspects of the study of chemistry. The experiments described here are an attempt to help students unify the theoretical and practical aspects of their studies in organic chemistry. Simple aromatic compounds (4-X-phenols) have been used to illustrate the relationship between theoretical molecular orbital calculations and an industrially useful multi step organic synthesis. The experiments provide a good introduction to the widely used methods of modern computational and theoretical chemistry, they exemplify a useful synthetic sequence employing relatively straight forward reactions with good yields and finally they act as a useful starting point for discussions of the factors which may contribute to the reactivity of a group of similar compounds.