Interaction diagram antibonding

In calculations and interaction diagrams, only the most simplistic MO models will be chosen to represent ground and excited states of reactants. An olefin then has a bond framework largely neglected in discussing the reactivity of the molecule. The bonding level will be characterized by a jr-electron wave function with no nodes between the two basis fi orbitals of the ir-bond. The first jr-antibonding level has one node in the wave function, and a first excited state has electron-occupancy of unity in each level. 

Figure 4.107 Perturbative interaction diagrams (on a common vertical energy scale cf. Fig. 4.106) depicting significant localized bonding interactions for PtH42 (a) metal hybrid formation (NAO NHO), (b) interaction of bonding hybrids to form bonding (a) and antibonding (a ) NBOs (NHO- NBO), and (c) nH

Fig. 50. Interaction diagram of the hybrid MO s in CH2XH. The dominant stabilizing interaction involves the carbon lone pair AO and the XH sigma antibonding MO...

Figure B7.1. a) 1-Trifluoromethylperfluorocyclobutyl carbanion. (b) The group antibonding orbitals of the CF3 group, (c) Orbital interaction diagram showing the dominant interaction between erf and tic and the secondary interaction of nc with erf (dashed line).

In MO theory the stability of these bonds is readily understood by inspection of orbital interaction diagrams 22 and 23, where 0 and o are bonding and antibonding combinations of active orbitals, respectively. Both... 

The cyclopentadienyl ligand is pervasive in organometallic chemistry. An orbital interaction diagram for CpMn(CO)3 is presented in Figure 19. The lowest Cp n orbital, z , interacts primarily with 2ai to form a filled bonding and empty antibonding combination. The overlap between a and lai is quite small. The p AOs in lie approximately in the nodal cone of the 7 orbital (see the top of Figure 1). The 2e orbitals on Mn(CO)3+ interact with e, on Cp to form a... 

Thus, in total effect, the orbital (crj is just about the most important single orbital making up the C—C bond. We can construct for it an interaction diagram (Fig. 2-6), just as we did for the H—H bond in Fig. 2-1. The other major contribution to C—C bonding, which we cannot go into now, comes from the fact that [Pg.10]

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