chapt22_TST - Transition State Theory (TST) Activated...

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Unformatted text preview: Transition State Theory (TST) Activated Complex Theory (ACT) Recall from general chemistry G o = H o T S o G o = - R T ln(K c ) G o = Gibbsfree energy H o = Enthalpy S o = Entropy K c = Equilibrium Constant There is a very strong connection here between free energy and the equilibrium constant! Recall the opposing reactions mechanism that gave an equilibrium expression (for example) 1 1- = k k K c- R T ln(Kc) = - R T ( ln(k 1 ) ln(k-1 ) ) = ( 29 ( 29 1 1 ln ln-- = - k k T R G o We need to do something clever with this G o quantity. Check out the familiar figure below. From the figure you can see that: G 1 - G-1 = G o (Note that this time G o is expected to be a negative number, but regardless of the sign the subtraction is always the forward quantity minus the reverse quantity.) Thus we can write G Reaction Coordinate G 1 G-1 G o X activated complex (transition state) ( 29 (...
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chapt22_TST - Transition State Theory (TST) Activated...

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