OK, I think this one is in the category of "fixed bugs" -- it has to do
with the assignment of sp2a, sp2b, and sp2c. 11.x had some issues with this
not being predictable, I think. I'm not sure of the point at which it was
fixed, but the current practice is correct -- sp2a on a C=O oxygen is
directed back to the C; sp2b and sp2c are the putative lone pairs.
The basic (undocumented) rule is that sp2a will be directed toward a sigma
bond; sp2b and sp2c will be lone pairs in the case of X=O. In the case of
X=N-Y, only sp2c will be a lone pair.
So, Rick, just change your references to lone pairs to "sp2c" instead of
"sp2a" and you will be good to go.
Bob
Bob
On Thu, Apr 10, 2014 at 3:27 PM, Spinney, Richard <
[email protected]> wrote:
> I was just updating some older material and noticed a problem with the
> sp (sp2a b and c) hybrid type lcaocartoons. The display was originally
> setup using Jmol 11.8.18 and I am upgrading using 14.0.13. The sp hybrid
> orbitals display in the "correct" orientation relative to the rest of the
> molecule using 11.8.18 but have rotated 90 degrees about the Z axis in
> 14.0.13. Has there been a change or is this a bug?
>
>
>
> Thanks, Rick
>
> --------------------------------------
>
> Dr. Richard Spinney
>
> Department of Chemistry and Biochemistry
>
> The Ohio State University
>
> 120A Celeste Laboratory
>
> 120 West 18th Ave
>
> Columbus, Ohio 43210
>
>
>
> email: [email protected]
>
>
>
> Phone: (614) 247 - 6847
>
> Fax: (614) 292 - 1685
>
>
>
>
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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