Nayak, MK and Sarkar, P and Elvers, BJ and Mehta, S and Zhang, F and Chrysochos, N and Krummenacher, I and Vijayakanth, T and Narayanan, RS and Dolai, R and Roy, B and Malik, V and Rawat, H and Mondal, A and Boomishankar, R and Pati, SK and Braunschweig, H and Schulzke, C and Ravat, P and Jana, A (2022) A bis-NHC-CAAC dimer derived dicationic diradical. In: Chemical Science, 13 (42). pp. 12533-12539.
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Abstract
The isolation of carbon-centered diradicals is always challenging due to synthetic difficulties and their limited stability. Herein we report the synthesis of a trans-1,4-cyclohexylene bridged bis-NHC-CAAC dimer derived thermally stable dicationic diradical. The diradical character of this compound was confirmed by EPR spectroscopy. The variable temperature EPR study suggests the singlet state to be marginally more stable than the triplet state (2J = −5.5 cm−1 (ΔEST = 0.065 kJ mol−1)). The presence of the trans-1,4-cyclohexylene bridge is instrumental for the successful isolation of this dicationic diradical. Notably, in the case of ethylene or propylene bridged bis-NHC-CAAC dimers, the corresponding dicationic diradicals are transient and rearrange to hydrogen abstracted products.
| Item Type: | Journal Article |
|---|---|
| Publication: | Chemical Science |
| Publisher: | Royal Society of Chemistry |
| Additional Information: | The copyright for this article belongs to the Authors. |
| Keywords: | Electron spin resonance spectroscopy, Diradicals; EPR spectroscopy; EPR studies; Singlet state; Successful isolation; Thermally stable; Triplet state; Variable temperature, Ethylene |
| Department/Centre: | Division of Chemical Sciences > Solid State & Structural Chemistry Unit |
| Date Deposited: | 04 Jan 2023 04:52 |
| Last Modified: | 04 Jan 2023 04:52 |
| URI: | https://eprints.iisc.ac.in/id/eprint/78675 |
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