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Identify the HOMO and LUMO in an water-formic acid acid-base reaction. Specify the orbital and molecule...

Identify the HOMO and LUMO in an water-formic acid acid-base reaction. Specify the orbital and molecule that contains it.

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Expert Solution

when a chemical reaction occurs , the orbital which donates electron is the highest occupied molecular orbital(HOMO) and one which receives that electron is lowest molecular orbital(LUMO).

H-COOH + H2O ----> H3O+ + HCOO-

1 proton is transferred from formic acid to water to from hydronium ion.

This proton attaches to the lone pair of electrons present in the sp3 hybrid orbital of O atom in water molecule.

Thus oxygen acts as donor lone pair of electrons present in the sp3 hybrid orbital (usually they are 2s and 2px before hybridization) acts as HOMO of the water molecule.

The s orbital in hydrogen atom accepts this electron.

Thus LUMO is the 1s orbital of the acidic hydrogen in formic acid.

queen_honey_blossom answered 2 years ago
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