O bonding molecular orbitals

There are also all the molecular orbitals from the o framework but we do not need to consider these the occupied o-bonding molecular orbitals are considerably lower in energy than the molecular orbitais for the jt system and the vacant antibonding molecular orbitals for the a bonds are much higher in energy than the % antibonding molecular orbital. 

Fig. 11.20 A o--bond molecular orbital diagram for a complex of octahedral symmetry.

For the molecular orbital description of the N-N bond of structure (3), two electrons with opposite spins occupy the N-N o-bonding molecular orbital a = h +hj. 

Below the photoionisation threshold a core electron in a free molecule can be excited into empty anti-bonding molecular orbitals (m.o. s) as well as into Rydberg states. These transitions are observable as sharp features directly below the corresponding absorption edge (carbon K, oxygen K etc.). Above the... 

If the two atomic orbitals are s-orbitals then the resulting molecular orbitals are called o (sigma) bonding molecular orbitals and a (sigma star) antibonding molecular orbitals (Figure 1.5). 

The interaction of two atomic orbitals (cpAi cpB) leads to the formation of bonding (°ab) and antibonding (o B) molecular orbitals of different energies... 

The 8a, 37t and IS orbitals are essentially the copper 3d atomic orbitals, and the 10a is the copper 4.s orbital. The 9a molecular orbital is a 2pa (O) +4/ a (Cu) bonding molecular orbital, whilst the 47t orbital is a mixture of pit atomic orbitals on oxygen and copper. The electronic wavefbnction for the 2 n state resulting from this configuration... 

We now compose a wave function for each tz electron in a conjugated system which describes its behaviour in the whole system, thus beforehand without restriction of the electron to particular bonds (molecular orbital, M.O.). It is now customary to compose these M.O. according first to Lennard-Jones as a linear combination of atomic orbitals (A.O.) provided with coefficients (L.C.A.O. approximation). These atomic orbitals in a molecule with double bonds are the p2 functions of the carbon atoms. The square of a particular coefficient indicates the contribution of the electron in question to the charge around this particular atom. 

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