Single-crystal electronic and electron spin resonance spectra of the two forms of bis(nitrato)bis-(α-picoline)copper(II) and of bis(nitrato)mono(pyrazine)copper(II)

Abstract
The polarised single-crystal electronic and e.s.r. spectra of the two forms of bis(nitrato)bis-(α-picoline)copper(II) and of bis(nitrato)mono(pyrazine)copper(II) have been measured. The polarised single-crystal spectra of the first two complexes are assigned in an effective symmetry of C2v, and those of the last complex in D2h symmetry. All three complexes yield the same one-electron orbital sequence, namely dx2y2 > dxy > dz2 > dyz > dxz, but with significant differences in the energies involved which are correlated with the different molecular structures present and in particular with the potential bonding role of the terminal nitrate oxygen atoms positioned off-the-z-axis.

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