Probing the Influence of Alkyne Substitution on the Electronic and Magnetic Properties of Diindeno[1,2- b ;1',2'- i ]anthracenes.
| Autor: | Vidal E Jr; Department of Chemistry & Biochemistry and the Materials Science Institute, University of Oregon, Eugene, Oregon 97403-1253, United States., Zakharov LN; CAMCOR, University of Oregon, Eugene, Oregon 97403-1433, United States., Gómez-García CJ; Department of Inorganic Chemistry, Universidad de Valencia, C/Dr. Moliner 50, Burjasot (Valencia) 46100, Spain., Haley MM; Department of Chemistry & Biochemistry and the Materials Science Institute, University of Oregon, Eugene, Oregon 97403-1253, United States. |
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| Jazyk: | angličtina |
| Zdroj: | The Journal of organic chemistry [J Org Chem] 2024 Oct 04; Vol. 89 (19), pp. 14515-14519. Date of Electronic Publication: 2024 Sep 20. |
| DOI: | 10.1021/acs.joc.4c01500 |
| Abstrakt: | To further the ability to manipulate the properties of open-shell molecules, logical and incremental modifications to molecular structure are key steps that provide fine-tuning of established diradicaloid scaffolds. We report the synthesis of an electronically "pure" diradicaloid based on a 2,6-anthroquinoidal core where the once necessary ethynyl "wings" are removed. Through the simplification of the overall electronic structure, the singlet-triplet energy gap increases by 0.3-0.4 kcal mol -1 in the reported diradicaloids while avoiding significant disruption to their optoelectronic properties. |
| Databáze: | MEDLINE |
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