Title of article :
Studies in the acid-base theory. The base strength of amines
Author/Authors :
Cerofolini، نويسنده , , G.F. and Re، نويسنده , , N.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2001
Abstract :
High-level self-consistent-field calculations have been performed on amines NH3−nRn (with R suitable substituent and n=1,2,3) to study the influence of the substituent on the proton affinity. Corrected for zero-point vibrational energies, calculations agree fairly well with available experimental data. The amine proton affinities are not correlated with nitrogen charge, irrespective of the way used to calculate the charge.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters