Archive for September 27th, 2019

The Kekulé vibration as a function of aromatic ring size. A different perspective using lemniscular rings.

Friday, September 27th, 2019

In the previous posts, I tried to track down the onset of bond length alternation (BLA) as a function of ring size in aromatic cyclocarbons, finding the answer varied dramatically depending on the type of method used to calculate it. So here I change the system to an unusual kind of aromatic ring, the leminiscular or figure-eight annulene series. I explore the Kekulé vibration for such species for which a 4n+2 π electron count means they are cyclically Möbius aromatic.[cite]10.1016/j.comptc.2014.09.028[/cite]

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