September 28, 2022, 09:51:09 AM
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Topic: Spin multiplicity of ground state phenol  (Read 631 times)

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Offline lfernando2021

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Spin multiplicity of ground state phenol
« 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

Offline Orcio_87

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Re: Spin multiplicity of ground state phenol
« Reply #1 on: December 03, 2021, 07:41:31 AM »
Singlet for the C6H5OH (neutral molecule) and doublet for the [C6H5OH]+ (single cation).

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Re: Spin multiplicity of ground state phenol
« Reply #2 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.
What men are poets who can speak of Jupiter if he were like a man, but if he is an immense spinning sphere of methane and ammonia must be silent?  - Richard P. Feynman

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