Electron Paramagnetic Resonance of a 10B-containing Heterocyclic Radical

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College of Natual Science and Mathematics, Chemistry and Biochemistry


Boron isotopologues, ESEEM, HYSCORE, Hyperfine splitting constants, Spin lattice relaxation


Electron paramagnetic resonance measurements for a 10B-containing heterocyclic phenanthrenedione radical, (C6F5)2B(O2C14H8), were made at X-band in 9:1 toluene:dichloromethane from 10 to 293 K and in toluene from 180 to 293 K. In well-deoxygenated 0.1 mM toluene solution at room temperature hyperfine couplings to 10B, four pairs of protons and five pairs of fluorines contribute to a continuous wave spectrum with many resolved lines. Hyperfine couplings were adjusted to provide the best fit for spectra of the radical enriched in 10B and the analogous radical synthesized with 10,11B in natural abundance, resulting in small refinements of the hyperfine coupling constants previously reported for the natural abundance sample. Electron spin relaxation rates at temperatures between 15 and 293 K were similar for samples containing 10B and natural isotope abundance. Analysis of electron spin echo envelope modulation and hyperfine correlation spectroscopy data at 80 K found Axx = −7.5 ± 0.3, Ayy = −8.5 ± 0.3, and Azz = −10.8 ± 0.3 MHz for 11B, which indicates small spin density on the boron. The spin echo and hyperfine spectroscopy data for the 10B –containing radical are consistent with the factor of 2.99 smaller hyperfine values for 10B than for 11B.

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