Abstract
Comparison of Q-band and X-band EPR spectra for a variety of copper(II) complexes containing nitroxyl radicals demonstrates that the value of the electron spin-electron spin coupling constant, J, is independent of magnetic field strength. The larger value of ( g 1 − g 2) βH at Q band relative to its value at X band results in two significant advantages: (1) there is less overlap of copper and nitroxyl lines in the Q-band spectrum, and (2) the outer lines in the AB quartets are much more intense relative to the inner lines at Q band than at X band. Q-Band spectra are easier to obtain and interpret than X-band spectra for compounds with large values of J. Q-Band spectra are more informative than X-band spectra for complexes which exist in solution as mixtures of isomers with different values of J. Use of both X-band and Q-band spectra reduces the uncertainty in obtaining spectral parameters via computer simulation.
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