SEMIEMPIRICAL EVALUATION FOR PROTON AFFINITIES OF PHOSPHORUS-COMPOUNDS

We here report the AM1 and PM3 evaluation of proton affinities for pho sphorus compounds. The substituent effects, the preferred site of prot onation, and the geometry changes produced upon protonation are discus sed in terms of the present semiempirical calculations that are compar ed with experimental data and previous ab initio results. (C) 1993 Joh n Wiley & Sons, Inc.