Nitrogen orbital energies

Draw simple molecular orbital energy-level diagrams to indicate how the bonding in the saline hydrides, such as NaH or KH, differs from that between hydrogen and a light p-block element such as carbon or nitrogen. 

The 7t-orbital is the HOMO and the 71 the LUMO. Notice that the coefficients of the orbitals are unequal, since nitrogen is more electronegative than carbon, and that the magnitude of the coefficients alternates from HOMO to LUMO. We may now imagine a water molecule approaching the imine. On the basis of orbital symmetry rules, the important interactions could be the LUMO of the water with the HOMO of the imine, or the HOMO of the water with the LUMO of the imine. This selectivity is on the basis of better matching of orbital energies. It is commonly found that the important interaction is that of the HOMO of the nucleophile with the LUMO of the electrophile (Fig. 2-28). The... 

The one-electron molecular-orbital energies resulted from the calculations when the oxygen atom of the cluster is replaced by substitution nitrogen was show in Fig. 4 on the right side. 

For zirconia with water bridge type and anion nitrogen, orbital connected with nitrogen appear in the forbidden gap. Thus, zirconia with anion nitrogen and water on surface must be deep donor. The one-electron molecular-orbital energies resulted from the calculations when the oxygen atom of the cluster is replaced by substitution fluorine was show in Fig. 11 on the right side. 

Kaufman and co-workers have made similar calculations and have shown that in covalent NF2 compounds there are no orbitals available on the nitrogen having energies low enough for significant 7r-bonding with the unshared electrons on the fluorine atoms (12, 13). In a series of X-NF2 compounds, the relative electron distributions are thus a function of the inductive effects of the X group. The various situations are envisioned as follows ... 

By way of example, we might consider the interaction of a quinoline ligand whose donor nitrogen lone pair is directed exactly toward the metal. The local pseudo-symmetry is C2 and we may label the metal-nitrogen axis as Z, with Cartesian coordinates X and Y lying in, and perpendicular to, the quinoline plane respectively. The central assumption of the AOM is that the d orbital energy matrix is diagonal within this coordinate frame and we write... 

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