calculate the Gibbs energy of chlorine anion

may01dz · 2019-10-25 21:17:19

Hello,

I have the following reaction:

[Frag1-Cl] + H2O== [frag1-H2O]+ + Cl-

This reaction is favoured if the value of the deltaG is less than zero.

I will calculate the deltaG, from frequency calculation, as follows:

deltaG=( Gibbs energy of [frag1-H2O]+ + Gibbs energy of Cl- ) – (Gibbs energy of [Frag1-Cl] + Gibbs energy of H2O)

Like the other reactants and products, Should I calculate the Gibbs energy of chlorine anion with a frequency calculation?

Thank you very much

sobereva · 2019-10-25 23:33:29

Yes, you should.

may01dz · 2019-10-26 12:13:26

Ok... Thanks,

sobereva wrote:

Yes, you should.

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