Journal
NATURE CHEMISTRY
Volume 10, Issue 11, Pages 1134-1140Publisher
NATURE PUBLISHING GROUP
DOI: 10.1038/s41557-018-0133-5
Keywords
-
Categories
Funding
- US National Science Foundation [CHE-1565780]
- Spanish Government, MINECO [CTQ2015-69391-P, CTQ2016-80955, CTQ2017-87201-P]
- Generalitat Valenciana [II / 2014 / 076]
- Japan Society for the Promotion of Science (JSPS, KAKENHI) [JP15J04949, JP25248007, JP17H05157, JP18H01943, JP18J10067, JP26107004]
- Biomolecular Mass Spectrometry Core of the Environmental Health Sciences Core Center at Oregon State University [NIH P30ES000210]
- King Khalid University through the Research Center for Advanced Materials Science at King Khalid University, Kingdom of Saudi Arabia [RCAMS/KKU/001-16]
Ask authors/readers for more resources
Many qualitative structure-property correlations between diradical character and emerging molecular properties are known. For example, the increase of diradical character further decreases the singlet-triplet energy gap. Here we show that inclusion of thiophenes within a quinoidal polycyclic hydrocarbon imparts appreciable diradical character yet retains the large singlet-triplet energy gap, a phenomenon that has no precedent in the literature. The low aromatic character of thiophene and its electron-rich nature are the key properties leading to these unique findings. A new indenoindenodibenzothiophene scaffold has been prepared and fully characterized by several spectroscopies, magnetic measurements, solid-state X-ray and state-of-the-art quantum chemical calculations, all corroborating this unique dichotomy between the diradical input and the emerging magnetic properties. New structure-property relationships such as these are not only extremely important in the field of diradical chemistry and organic electronics, but also provide new insights into the versatility of it-electron chemical bonding.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available