1366180-09-7Relevant articles and documents
Syntheses, optical and intramolecular magnetic properties of mono- and di-radicals based on nitronyl-nitroxide and oxoverdazyl groups appended to 2,6-bispyrazolylpyridine cores
Hui, Pramiti,Arif, Khaja Md.,Chandrasekar, Rajadurai
, p. 2439 - 2446 (2012)
This paper presents the synthesis of a series of nitronyl-nitroxide (NN), oxoverdazyl (OVZ) based mono-, and bi-radicals attached to 4-phenyl-2,6- bispyrazolylpyridine coupling unit, their optical, electron spin resonance (ESR) spectroscopic studies and computational analysis. The ESR studies revealed that the axial zero-field splitting (zfs) parameter of the NN biradical (D/hc = 0.00719 cm-1) is larger than the OVZ biradical (D/hc = 0.00601 cm-1). Additionally both biradicals displayed forbidden half-field transitions (ΔMs = ±2; gav ~ 4.01) at 170 K demonstrating their triplet nature. The cryogenic ESR measurements of the two biradicals showed a Curie magnetic behaviour of the ΔMs = ±2 signal intensities (χEPR) down to 4.2 K. A detailed comparative analysis of the strength of hyperfine coupling, spin density distribution, zfs and the spin-spin exchange coupling (J) of both NN and OVZ based biradicals showed that the ground state spin multiplicity of both biradicals is probably triplet (S = 1) or it is nearly degenerate singlet-triplet states with JNN ? JOVZ. The Royal Society of Chemistry 2012.