Subject: Energy barriers to CD3,CT3 rotations

From: "Hr Dr. S. Shapiro" <[email-masked]>
Date: Fri, 24 Jun 1994 07:34:41 +0100 (MET)

Dear CCLers,

     Does anyone know of literature references or unpublished information re
calculated or experimental values for energy rotation barriers for isotopi-
cally-substituted methyl groups in molecules such as ethane (H3C-CH3 vs.
H3C-CD3 vs. H3C-CT3), 1,2-dimethylbenzene, or perhaps other chemical
species?  MOPAC is insensitive to such isotopic substitutions vis-a'-vis
heats of formation.

     Thanks to all responders in advance.

Sincerely,

S. Shapiro
Abt. orale Mikrobiol. allg. Immunol.
Zahnaerztl. Inst. der Univ. ZH
Plattenstr. 11
Postfach
CH-8028 Zuerich, Switzerland

Internet: [email-masked]
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