Fluoreno[2,1-a]fluorene: an ortho-naphthoquinodimethane-based system with partial diradical character.

Autor: Hacker, Allison S., Pavano, Mauricio, Wood, James E., Hashimoto, Hannah, D'Ambrosio, Kyle M., Frederickson, Conerd K., Zafra, José L., Gómez-García, Carlos J., Postils, Verònica, Ringer McDonald, Ashley, Casanova, David, Frantz, Derik K., Casado, Juan
Zdroj: Chemical Communications; 12/7/2019, Vol. 55 Issue 94, p14186-14189, 4p
Abstrakt: Fluoreno[2,1-a]fluorene, a molecule comprising fused ortho-quinodimethane units in a 1,5-napthoquinodimethane core, has been prepared and investigated with spectroscopy (UV-Vis-NIR, 1H-NMR and Raman), SQUID magnetometry, spectroelectrochemistry and quantum chemistry. While para-quinodimethanes with a 2,6-substitution pattern exist as closed-shell species and meta-quinodimethanes with 2,7-substitution favour a ground electronic state with very large diradical character, our 1,5-substituted ortho-naphthoquinodimethane-based system exhibits an intermediate degree of diradical character. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index