Interactions in Inorganic Molecular Crystals - Electronic Spectra of ReF sub 6 Pure and Mixed Crystals.
Technical rept. 1 Jul-31 Dec 75,
PRINCETON UNIV N J DEPT OF CHEMISTRY
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Electronic absorption spectra of ReF6 Quintet d1 are obtained for the pure crystal and UF6, MoF6, and WF6 mixed crystals. The observed transition arises from an intra-configurational t2g to t2g promotion. The pure crystal is predicted to undergo a magnetic phase transition below ca. 1.5K. Pair spectra, two-molecule transitions, the ground state Jahn-Teller effect, linewidths, and vibrational assignments are discussed. The major mechanism for pair coupling and magnetic ordering is identified as superexchange through low lying delocalized charge transfer bands. These interactions are qualitatively discussed and energy localizing and delocalizing interactions are separated.
- Atomic and Molecular Physics and Spectroscopy