Firefly and PC GAMESS-related discussion club


 
Learn how to ask questions correctly  
 
 
We are NATO-free zone
 



Re: about Hammett equation

Amir Nasser Shamkhali
amir_n_shamkhali@yahoo.com


Dear Gomathi
For driving Hammett relation you should perform a series of calculations. First, the Gibbs anergy of reactants and products should be calculated. Then using (DelatG) of the reaction you can estimate equilibrium constant of the reaction. Also you should find activation energy of the reaction in order to calculate reaction rate constant. Please note that all of these data are valid for gas phase.

Best wishes


On Mon Nov 7 '11 4:28pm, Gomathi wrote
--------------------------------------
>Dear all,

>I have the energy values of electrophilic substitution reactions. I thought to apply Hammett equation for that reactions.
>can anyone help me by giving ideas.

>Thank you in advance

>Gomathi


[ Previous ] [ Next ] [ Index ]           Wed Nov 23 '11 6:58pm
[ Reply ] [ Edit ] [ Delete ]           This message read 1152 times