Cycloparaphenylene Möbius trefoils.
Chem Commun (Camb)
; 56(88): 13567-13570, 2020 Nov 14.
Article
em En
| MEDLINE
| ID: mdl-33151206
ABSTRACT
DFT computations (ωB97X-D/6-31G(d)) of eight different cycloparaphenylenes that have three internal linking groups are shown to have two different conformations that express interesting Möbius topologies. The D3 conformers have linking numbers Lk of 3 (three half-twists as a trefoil), and the much more stable C2 conformers have a single half-twist, Lk = 1.
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Base de dados:
MEDLINE
Idioma:
En
Ano de publicação:
2020
Tipo de documento:
Article