[Spider97]

Hi all,

Just wondering if there was a systematic way of drawing out how bonds would break in a compound when heated?

This is my compound:



I know if I add heat, the 1H and 2H will break off, but im trying to predict the pathway of the green bonds breaking (like the order and steps)...

I need this so I can measure the energy to do so for each step....

Just wondering whats a good starting point?

Thx!

[Spider97]

For example, I believe breaking a C-C bond will produce this product:



Tolene + o-quinone methide

However I don't know how to prove it!

[sjb]

Theoretically, or practically?

In any event, perhaps look into isotopic labelling and kinetic isotope effects or similar?