GHEORGHE SURPATEANU, ILEANA DENISA NISTOR, ANA-MARIA GEORGESCU, NECULAI CATALIN LUNGU CHIMIE SINTONICA. STUDIUL TEORETIC AL FORMARII GLICINEI, ALANINEI SI SERINEI
Three synthons: methylene, nitrene and carbon monoxide form aziridinone in the presence of molecular nitrogen at low temperatures. This one, in contact with the same three synthons could form the precursors of the first proteinogenic amino acids. This paper is a theoretical, thermodynamically and reactivity study concerning the formation of the three previously named amino acids at low temperature conditions. The key intermediates are identified in the formation of the three amino acids: aziridinone, aziridinonil and methyl-aziridinonil radicals. The quantitative results, enthalpies of formation, reaction enthalpies and free energies were taken from quantum mechanical calculations acquired by density functional method (DFT): B88-LYP.