Abstract
THE electronic structures of the d1 chromophores VO2+, CrO3+, and MoO3+ have been the subject of much debate1–4, particularly after the early molecular orbital (m.o.) calculations of Gray et al.5,6. An important feature of the electronic spectral assignments suggested5,6 was that the first two absorptions correspond to the d–d transitions dxy→dxz,yz and dxy→ respectively, in the d-orbital sequence dxy (b2) < dxz, dyz(e) < (b1) < dz2(a1). These assignments have found general acceptance and have formed the basis for the interpretation7 of the electron spin resonance (ESR) spectra and bonding parameters of these complexes. We report here experimental results contradicting the assignment of the second absorption.
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GARNER, C., HILLIER, I., KENDRICK, J. et al. The electronic structure of VO2+, CrO3+, and MoO3+ complexes. Nature 258, 138–139 (1975). https://doi.org/10.1038/258138a0
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DOI: https://doi.org/10.1038/258138a0
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