Variable-Temperature Variable-Field Magnetic Circular Dichroism Combined with Electron Paramagnetic Resonance: Polarizations of Electronic Transitions in Solution

The behaviour of saturation magnetization in VTVH MCD is determined by the polarization of an electronic transition relative to the magnetic ground state D tensor and/or g matrix. The latter can be derived from molecular orbital calculations including spin-orbit coupling. Thus the combination of VTVH MCD, EPR and molecular orbital theory allow the determination of polarizations of electronic transitions in a randomly oriented solution, providing new experimental insight into electronic structure and its contribution to reactivity.