Synthone Chemistry. Theoretical Study on the Formation of Valine, Leucine, Isoleucine and Methionine

According to synthonic theory of the formation of proteinogenic amino acids and of corresponding polypeptides, starting from three synthons (methylene, nitrene and carbon monoxide), four proteinogenic amino acids have been constructed: valine, leucine, isoleucine and methionine. This paper represents a theoretical, thermodynamic and reactivity study on the formation of the four previously mentioned amino acids at low temperatures. All the intermediates involved in the formation of these amino acids as well as the final products obtained by contact with water, an essential component of the Earth`s primary atmosphere, are specified. Quantitative data, formation enthalpies, reaction enthalpies and free energies were obtained in principle by DTF (B88-LYP) calculations.