Photoelectron spectrum and gas-phase basicity of manxine. Evidence for a planar bridgehead nitrogen

Electronic Structure of 2H-Tetraphenylporphyrin at Fe/Si (100) Interface

“…These two peaks were shown with their fwhm by fitting the raw data and obtained results are reported in Table 1, which point out that the pyrrolic peak is broader than the iminic and are in good agreement with reported results [16,19]. However, it is difficult to ascertain that the two kinds of N 1s atoms with such fwhm difference have a different core-hole lifetime that should be related to very distinct de-excitation mechanisms [28].…”

Electron ionization study of ammonia micro-clusters

“…3. In this case, the temperature T o of NH 3 in the gas stagnation chamber was 256 K. Our results, and those obtained by previous authors25,, 34,, 47–51 who used different experimental methods, are given in Table 1 . The error limits given for the present measurements include both statistical and estimated systematic errors.…”

Small and Medium-Sized Bridgehead Bicyclic Lactams: A Systematic ab Initio Molecular Orbital Study

“…It is clear that as the bridgehead N atoms approach planarity in rigid bicyclic systems PA values have a tendency to decrease due to the strain in the 4-coordinate nitrogen. These strain effects, previously noted in protonated manxine, 49 are nonetheless outweighed by the ability of larger systems to disperse charge and hence PA at nitrogen is larger in 7 than it is in 1-methylpyrrolidinone. The N-versus O-protonation "crossover" points appear to be in the geometry regions defined by the 3 h.3.1, 3 h.3.2, and 3 h.3.3 structures.…”

“…0.9 eV). 49 The first IP bands in amides are usually quite sharp (IP a ≈ IP v ), but distorted amides such as 5 have broader bands. 48 Thus, comparisons between lactams, amides, and model amines are surprisingly complex.…”