Journal or Book Title
Journal of the American Chemical Society
A series of azaphosphatrane molecules of the form ZP[NR(CH2)2hN, where Z = H+, p+, CI+, CH2, CH3+. NH, NH2+, 0, or OH+ and R = CH3 or H. are compared with the parent base molecules with Z unoccupied. The proton affinities of the base molecules are determined and predictions of their relative base strengths are made. The dramatic change in the P-N transannular distance upon addition of Z and the nature of the P-N bond are investigated for these molecules. In contrast to the apparently weak Van der Waals transannular P-N interactions in the parent bases, the cationic species are shown to have some dative bonding. The effect of solvent (DMSO) on the acid-base relationships is estimated with the aid of a simple self-consistent reaction field model.
American Chemical Society
Windus, Theresa Lynn; Schmidt, Michael; and Gordon, Mark S., "Theoretical Investigation of Azaphosphatrane Bases" (1994). Chemistry Publications. 264.