Veröffentlicht in Henry Rzepa's Blog

We have heard a lot about OA or Open Access (of journal articles) in the last five years, often in association with the APC (Article Processing Charge) model of funding such OA availability. Rather less discussed is how the model of the peer review of these articles might also evolve into an Open environment. Here I muse about two experiences I had recently.

References

Multidisciplinary
Englisch

Stabilizing a different cyclooctatetraene stereoisomer

Veröffentlicht in Proceedings of the National Academy of Sciences
Autoren Longfei Li, Ming Lei, Yaoming Xie, Henry F. Schaefer, Bo Chen, Roald Hoffmann

Significance Cyclooctatetraene (COT) is a poster child for nonaromatic molecules. An isomer of tub-shaped COT, with one of the ring double bonds changed from the usual cis form to a trans one, lies some 23 kcal/mol higher in energy. Devising a substitution strategy for turning the tables, making the trans isomer the stable point of the system, is the challenge. Simple bonding ideas, of the bulk of substituents, of clamping and turning aromaticity on and off, of pushing electrons in and out of the system, guide us in devising several realistic candidates. Along the way, a set of molecules that might easily split hydrogen reversibly emerges.