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| Field | Value |
| Title | Density functional theory prediction of enhanced photomagnetic properties of nitronyl nitroxide and imino nitroxide diradicals with substituded dihydropyrene couplers |
| Names |
ALI, ME
DATTA, SN |
| Date Issued | 2006 (iso8601) |
| Abstract | We predict the photoswitching magnetic properties of four substituted dihydropyrenes from density functional broken-symmetry calculations. The magnetic exchange coupling constants differ up to 9.44 cm(-1). The intramolecular exchange interactions are ferromagnetic in nature. The calculated coupling constants are much larger than those reported earlier for photomagnetic organic molecules. |
| Genre | Letter |
| Topic | Orla |
| Identifier | JOURNAL OF PHYSICAL CHEMISTRY A,110(36)10525-10527 |