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Mostrando ítems 11-13 de 13
Theoretical study of chloride complexes with hybrid macrocycles (2021)
(Royal Society of Chemistry, 2021-01-07)
Anions show relevant roles in biological routes. The supramolecular chemistry investigates the chemical bonding between two or more molecules and/or ions. Herein, the nature of the bond between chloride anions and macrocycle ...
Evaluation of C60 and C70 analogs bearing Cyclo‐meta‐Phenylene faces as improved devices for Polymer:Fullerene solar cells from DFT calculations (2020)
(Elsevier Ltd, 2021-01-30)
A new structure for spherical fullerene is evaluated involving sixty phenylene rings, replacing every C-vertex from C60, which is based on the isolated-pentagon-rule (IPR) motif based on a cyclo‐meta‐phenylene derivatives ...
On the Aromaticity and13 C-NMR Pattern of Pentagonal-Pyramidal Hexamethylbenzene Dication [C6 (CH3 )6 ]2+: A {C5 (CH3 )5 }− –{CCH3 }3+ Aggregate (2022)
(MDPI, 2021-12)
The experimentally characterized hexamethylbenzene dication C6 (CH3 )62+ shows a pentagonal-pyramidal structure involving a carbon-capped five-membered ring. The structural characterization of this hypercoordination (or ...