Archive for April, 2010
Tuesday, April 6th, 2010
Here I offer another spin-off from writing a lecture course on conformational analysis. This is the famous example of why 1,2-difluoroethane adopts a gauche rather than antiperiplanar conformation.

The gauche and antiperiplanar conformations of 1,2-difluoroethane
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Tags:appropriate algorithms, conformational analysis, energy gap, Here I, interaction energy, Interesting chemistry, spin-off
Posted in Interesting chemistry | 14 Comments »
Friday, April 2nd, 2010
One of the (not a few) pleasures of working in a university is the occasional opportunity that arises to give a new lecture course to students. New is not quite the correct word, since the topic I have acquired is Conformational analysis. The original course at Imperial College was delivered by Derek Barton himself about 50 years ago (for articles written by him on the topic, see DOI 10.1126/science.169.3945.539 or the original 10.1039/QR9561000044), and so I have had an opportunity to see how the topic has evolved since then, and perhaps apply some quantitative quantum mechanical interpretations unavailable to Barton himself.
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Tags:10.1021, conformational analysis, Derek Barton, energy maxima, Imperial College, Interesting chemistry, lower energy, overall energy, potential energy surface, Tutorial material
Posted in Interesting chemistry | 11 Comments »