화학공학소재연구정보센터
Chemical Physics Letters, Vol.339, No.5-6, 375-379, 2001
Studies in the acid-base theory. The base strength of amines
High-level self-consistent-held 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 tare-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.