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.

Solutions

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 1 year ago

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