On the Aromaticity and <sup>13</sup>C-NMR Pattern of Pentagonal-Pyramidal Hexamethylbenzene Dication [C<sub>6</sub>(CH<sub>3</sub>)<sub>6</sub>]<sup>2+</sup>: A {C<sub>5</sub>(CH<sub>3</sub>)<sub>5</sub>}<sup>−</sup>–{CCH<sub>3</sub>}<sup>3+</sup> Aggregate

On the Aromaticity and <sup>13</sup>C-NMR Pattern of Pentagonal-Pyramidal Hexamethylbenzene Dication [C<sub>6</sub>(CH<sub>3</sub>)<sub>6</sub>]<sup>2+</sup>: A {C<sub>5</sub>(CH<sub>3</sub>)<sub>5</sub>}<sup>−</sup>–{CCH<sub>3</sub>}<sup>3+</sup> Aggregate

The experimentally characterized hexamethylbenzene dication C<sub>6</sub>(CH<sub>3</sub>)<sub>6</sub><sup>2+</sup> shows a pentagonal-pyramidal structure involving a carbon-capped five-membered ring. The structural characterization of this hypercoordin...

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Bibliographic Details
Main Authors: Desmond MacLeod-Carey, Alvaro Muñoz-Castro
Format: Article
Language:English
Published: MDPI AG 2021-11-01
Series:Chemistry
Subjects:
carbon
hypercoordination
aromaticity
shielding
DFT
Online Access:https://www.mdpi.com/2624-8549/3/4/97

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