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TPP Molecular Orbitals

We will perform an AMI calculation on tetraphenylporphin (TPP), pictured at right, in order to examine the four important molecular orbitals for this molecule the second-highest and highest occupied MO s and the lowest and second-lowest unoccupied MO s (which we denote HOMO-1, HOMO, LUMO and LUMO-ll, respectively). [Pg.112]

The orbitals we are interested in are the ones numbered 112 through 115, which are plotted below  [Pg.112]

We can make the following comments about these orbitals [Pg.112]

4- The LUMO is similar to the HOMO, but the lobes do not align. Thi appears more like an anti-bonding orbital. [Pg.112]

4 The LUMO-H is very similar to the LUMO rotated by 90 degrees. [Pg.112]

See other pages where TPP Molecular Orbitals is mentioned: [Pg.112]    [Pg.7]    [Pg.83]   


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