There seems to be a philosophical and technological debate brewing here.
Rigorously, the lone pairs of CO2 are not sp2-hybridized; a canonical
calculation of the MOs reveals that.
But on another note, how would Jmol even know where to put the sp2
hybridized lone pairs? The two ends of CO2 would have to know something
about each other, since the lone pairs ought to be at right angles (I hope
we can agree on that...). It seems a technological impossibility to lay
down sp2 or even px and py lobes on the oxygens.
Sounds like independent isosurfaces are the way to go.
On Friday, March 15, 2013, Pshemak Maslak wrote:
> On 3/15/2013 1:42 PM, Simone Sturniolo wrote:
>
> I think the point here is that CO2 has simple sp hybridization, not sp2...
>
>
> We are talking about lone pairs on oxygens (not about carbon
> hybridization).
>
> PM
>
>
>
> 2013/3/15 Pshemak Maslak <[email protected]>
>
> On 3/11/2013 2:18 PM, Robert Hanson wrote:
>
> Since when are they sp2 ? ;)
>
> Since freshman chemistry covered hybridization?
>
> I am guessing that there is no simple fix...
>
> PM
>
>
>
>
>
>
> On Mon, Mar 11, 2013 at 12:40 PM, Pshemak Maslak <[email protected]> wrote:
>
> On 3/11/2013 12:58 PM, Robert Hanson wrote:
>
> Good catch, Michael. Yes, it's specifically a problem with "-sp3d" --
> easily fixed.
>
> See http://chemapps.stolaf.edu/jmol/Jmol-13.zip and
> http://chemapps.stolaf.edu/jmol/jsmol.zip
>
>
> Bob
>
>
> I have lcaocartoon-related questions. For CO2 (for example) the sp2 lone
> pair lobes are shown as the sp lobes instead. Similar outcome is observed
> for other linear molecules. Is that a general limitation?
>
> I know that the cartoons lobes can be drawn and oriented (per demand)
> using "isosurface" command, but the lonepair dots are much harder if one
> wants them to keep up with molecular rotations and not eclipse each other
> at some orientations.
>
> Is there a simple way to deal with these issues?
>
> Thanks,
>
> PM
>
>
>
>
>
>
>
> On Sun, Mar 10, 2013 at 2:19 PM, Michael Evans <[email protected]>wrote:
>
> Jmol'ers,
>
>
--
---
Michael Evans
Department of Chemistry
University of Illinois, Urbana-Champaign
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