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Recently we reported the results of semiempirical calculations (MNDO, MINDO/3) which led us to the conclusion, that the proton-affinity of molecules R-NH 2  (R = H, CH 3 , C 2 H 5 , n-C 3 H 7  and n-C 4 H 9 ) is determined by the ability of the groups R to carry positive charge in the corresponding cations R-NH 3  + .

zeitschrift für naturforschung a

Ab Initio-Rechnungen zur Protonenaffinität unverzweigter primärer aliphatischer Amine / Ab Initio-Calculations on the Protonaffinity of Unbranched Primary Aliphatic Amines