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Showing posts from May, 2010

IQC at Science Park

Here some photos taken at the IQC a few weeks ago.
The post-doc/staff room:
And the PhD students room:

Minimum polarizability principle of spin states

In a recently published paper in Journal of Computational Methods in Sciences and Engineering, we have been investigating if the MPP (minimum polarizability principle) holds for spin states. I.e. if the most stable spin state has the lowest polarizability value. Intuitively, one might expect such a relationship to hold, since the more strongly bound are electrons, the more difficult it is to let them move (i.e. polarize); also, the more strongly bound are electrons, the more stable should be the molecule.

However, this turns out to correct only in certain cases. Several examples are presented where the low spin state is more stable, but has a higher polarizability than the high spin state; and reversely.

Therefore, the MPP principle does not hold for spin states.

Fullerenes at the Temps de Flors

In the past couple of years we have been studying different aspects of fullerenes (e.g. Chem. Eur. J.2010, 16, 3207-3214, Chem. Eur. J.2009, 15, 13111-13123, J. Am. Chem. Soc.2009, 131, 129-139, J. Am. Chem. Soc.2008, 130, 6206-6214), and today at the first day of the annual flower festival in Girona, I've seen it has not gone unnoticed:

Especially in this second one, you can see three different fullerenes we have studied: C60 (blue), D3h-C78 (pink) and C2-C78 (yellow).

Also notice the snail in the next picture: