M.A. Lutz, R.M. Feenstra, et al.
Surface Science
Using density-functional theory as implemented in the projector- augmented wave method, we have calculated structures, energy levels, structures of the protonated forms, and proton affinities of the phosphanes PH3, PF3, P(CF3)3, PMe3, P(NMe2)3, P(C6H5)3, P(p-C6H4OMe2)3, and P(p-C6H4NMe2)3. The donor strengths of the phosphanes are discussed in terms of lone-pair energies and proton affinities. The influence of the donor ability of the phosphane ligands on the protonolytic cleavage of the metal-carbon bond in [NiCl(CH2CH2NH3)(PR3)2]+ complexes has been studied. A linear relationship between the lone-pair energies of the phosphanes and the activation barrier has been established. (C) 2000 Elsevier Science B.V.
M.A. Lutz, R.M. Feenstra, et al.
Surface Science
Imran Nasim, Melanie Weber
SCML 2024
E. Babich, J. Paraszczak, et al.
Microelectronic Engineering
B.A. Hutchins, T.N. Rhodin, et al.
Surface Science