CORRELATIONS BETWEEN THE QUANTUM-CHEMICAL PARAMETERS OF AMINO-ACIDS AND REGIOSELECTIVITY OF ISOTOPE-EXCHANGE WITH THE SPILLOVER HYDROGEN

The effective charges and the proton affinity of carbon atoms of a-ami no acids were calculated by quantum-chemical methods. The relative rea ctivity of the C-H bonds of amino acids under conditions of high-tempe rature solid-date catalytic isotope exchange (HSCIE) was studied. Corr elations between the electron structure oi amino acids and the regiose lectivity of the solid-state isotope exchange were established. The re activity of the carbon atoms with high proton affinity increases under HSCIE conditions. An assumption was made that the interaction of a so lid organic compound with the spillover hydrogen can be described as t he electrophilic substitution at the saturated and aromatic carbon ato ms.