I am using various QM comp chemical techniques in an effort to capture the transition state between a protonated nitrogen and a hydroxyl group.
I am struggling to find a stable product when the oxygen is +1 charge having exchanged a proton (hydrogen) off the stable protonated nitrogen. The hydrogen keeps going back onto the nitrogen.
I've attached a condensed part of the mechanism. I am a not a natural organic chemist. Suggestion of whether this is possible would be grateful.
Anthony,
Can you point me towards which mechanism you are referring to (papers, articles etc.) ? Based on the situation, I might be able to suggest some solutions.
Best,
Atiya
That's what I am after. Information on whether such a mechanism exists.
Can you tell me the exact system you are working on? Details such as overall electronic environment, species and path would be useful.
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