Orbital interaction general rules

Orbital amplitudes, 54 Orbital energies, 51, 53, 287 Orbital interactions general rules, 10, 38 Orbital labels group theoretical, 46, 51 localized types, 51 Orbital occupancies, 57 Oxygen, 88 Ozone, 151... 

How Localized Orbitals Interact to Create Delocalized Combinations. General Rules for the Interaction between Orbitals of Different Energy... 

The general rules for the interaction between two orbitals of different energy, typified by the scheme shown in Fig. 13, are as follows ... 

The theory of two-orbital interactions leads to some general rules of orbital interactions ... 

The orbital interaction rules described in the Sect. 1.1 are generalized here (Scheme 5) ... 

On the basis of the orbital phase continuity/discontinuity in the involved cyclic orbital interactions, some general rules were drawn for the Jt-conjugated and localized diradicals ... 

It is thus evident that the reaction path is controlled by the frontier-orbital interaction. The position of reaction will be determined by the rule of maximum overlapping of frontier orbitals, that is, HO and LU MO s of the two reacting molecules. Sometimes SO takes the place of HO or LU in radicals or excited molecules. Hence, the general orientation principle would be as follows ... 

This theory proves to be remarkably useful in rationalizing the whole set of general rules and mechanistic aspects described in the previous section as characteristic features of the Diels-Alder reaction. The application of perturbation molecular orbital theory as an approximate quantum mechanical method forms the theoretical basis of Fukui s FMO theory. Perturbation theory predicts a net stabilization for the intermolecular interaction between a diene and a dienophile as a consequence of the interaction of an occupied molecular orbital of one reaction partner with an unoccupied molecular orbital of the other reaction partner. 

For excited terms split by spin-orbit interaction there are no general rules regarding normal or inverted multiplets. For example, in Fie, excited states form mostly inverted multiplets whereas in the alkaline earth metals, Be, Mg, Ca,..., they are mostly normal. 

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