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Chemistry Forums for Students => Analytical Chemistry Forum => Topic started by: lfernando2021 on December 03, 2021, 01:22:25 AM

Title: Spin multiplicity of ground state phenol
Post by: lfernando2021 on December 03, 2021, 01:22:25 AM

What is the spin multiplicity of the ground state phenol? Singlet, doublet, triplet... I want to calculate the electron affinity and ionization energy for phenol by the differences of energies (IE= Ecation - Eneutral). How do I know the multiplicities of each state

Title: Re: Spin multiplicity of ground state phenol
Post by: Orcio_87 on December 03, 2021, 07:41:31 AM

Singlet for the C₆H₅OH (neutral molecule) and doublet for the [C₆H₅OH]⁺ (single cation).

Title: Re: Spin multiplicity of ground state phenol
Post by: Corribus on December 03, 2021, 09:55:42 AM

The ground electronic state for neutral organic molecules is virtually always singlet because all shells are closed and all spins are paired. Which implies that if you lose a single electron from the highest occupied orbital, the electronic state must virtually always be doublet.