Cyclopropane energy on Chem 3d

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Cyclopropane energy on Chem 3d

Postby Chem_Mod » Sun Oct 02, 2011 6:14 pm

When I made cyclopropane on Chem3d, the total energy came out to be ~4 kCal/mol, but the course reader says that its energy is ~28 kCal/mol. Several other people I have talked to said the program put out an energy of about 4 kCal/mol for cyclopropane also. My question is regarding the molecule whose bond angle deviates most from the expected value and the molecule that has the most strain. I believe it is cyclopropane for both, but my Chem3d model contradicts this. Is there any way to resolve this, or should I just put the answer that is known to be true?

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Re: Cyclopropane energy on Chem 3d

Postby Chem_Mod » Sun Oct 02, 2011 6:15 pm

The energies given by the program are approximations. Use the bond angles to determine the molecule with the most strain remembering that the carbons in cyclopropane are sp3 hybridized.


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