The energies of the ? MOs obtained from Hückel MO theory for ? sp2 hybridised carbon...

The energies of the ? MOs obtained from Hückel MO theory for ? sp2 hybridised carbon atoms forming a linear chain are given by:

?? = ? + 2?cos ( ?? ? + 1 )

where ? is the energy level (? = 1,2, … , ?) in order of increasing energy.

(i) Give the values of ? for the HOMO and LUMO in butadiene.

(ii) The energy required to promote an electron from the HOMO to the LUMO of butadiene was measured to be 309 kJ/mol. Determine the value of ?

Expert Solution

ANSWERS-

The correct expression for energy is given as

?? = ? + 2?cos ( ?? (? + 1 ))

1) For HOMO K=2 and LUMO K=3,

2) The value of ? is -77.25 kJ/mol.

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queen_honey_blossom answered 9 months ago

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