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Chemistry Forums for Students => Organic Chemistry Forum => Topic started by: Pregunta on October 04, 2006, 11:07:46 PM

Title: Steric energy and relations towards torsional angle?
Post by: Pregunta on October 04, 2006, 11:07:46 PM

Ok so I have a printout of various integers at various degrees of a rotation.

So going off this formula:

Estrain = Estretch + Eangle + Etorsion + Esteric

I'm to find the torsion angle (which I assume is Eangle).  I'm given my E torsion, my Estretch, and my Estrain, but I don't know how to find Esteric.


The unused values that I'm not sure about are NonbondE and Ebend as well as TotalE - min.


Which of these is steric energy?  Or if none of them are, how do I find the steric energy?

Thanks.

Title: Re: Steric energy and relations towards torsional angle?
Post by: movies on October 05, 2006, 11:52:34 AM

Steric interactions are often called non-bonding interactions, so maybe it's that.  However, I've never seen energy presented in this kind of formula before, so it might be more complicated than that.