Tutorial 14 | How to Model a Diels Alder Reaction With Gaussian | Dr M A Hashmi

[@mnkhanktk9818]

how to make an energy profile of a multistep organic synthesis reaction in which a catalyst is involved. can you make a video on that as well? Like I've two reactants (A & B) but first, my reactant A reacts with the catalyst and after that, it starts reacting with reactant B. (in my case first enamine is formed then Michael addition oxidation occurs after that ring closure occurs and finally product is formed. Now, I've optimized the reactants, product, and intermediate geometries at the ground state. Now, the thing is k mere product ki energy high arhi ha then reactants.

[@ahmedlakhani7839]

Nice and Informative video! Thank you!

[@WisdomCenter]

You are welcome. :)

[@lknowledgetech3505]

Nice and very very informative video sir. Thank you

[@WisdomCenter]

Most welcome

[@mukeshnayak3708]

Thank you so much sir

[@WisdomCenter]

Most welcome

[@sumayyapc6713]

If you have time please help me. I have a doubt regarding the preparation of the input file of a transition state calculation.for making a transition state how we adjust the bond length between reactive site ( bond to break) and incoming group (bond to form). What I have to do is adjust the bond length of both in equal or bond to be formed in short distance and bond to be broken at large length. kindly please help me

[@WisdomCenter]

Replied you on email.

[@Muttakin_12]

@@WisdomCenter Respected Sir , How to draw a reaction sequence using gaussian optimized structure

[@mRidula277]

Hi sir I have one doubt.... Is that possible that the enrgy of TS is greater than reactant but it is lower than product......

[@WisdomCenter]

I don't think it is possible normally, I mean TS is of higher energy than its ccounterparts

[@05_FuNnY_cArToOn]

Sir, both the reactant should be optimized one for transition state ?

[@WisdomCenter]

Yes

[@rabiyajehan8201]

Sir, How we can make this energy profile? Same as shown in video except MS- EXCEL..

[@WisdomCenter]

You can make in ChemDraw as well

[@alchemist1979]

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