On the Jahn-Teller Effect in IrF6: The Gamma sub 8g thrice degenerate t sub 2g State at 6800 A.
Abstract
This work presents a detailed discussion of the highest energy d-d transitions of IrF6, Gamma sub 8g (2T sub 2g) from Gamma sub 8g (4A sub 2g) at 14,900 cm -1 and Gamma sub 7g (2T sub 2g) from Gamma sub 8g (4A sub 2g) at 12,100 cm-1, as observed in dilute mixed crystals with UF6, MoF6, and WF6 at 4.2 and 1.8 K. The system is of particular interest because gamma sub 8g states are Jahn-Teller active and the Gamma sub 7g state serves as an excellent example of what may be expected for a similar but non-Jahn-Teller active state. It is found that the usual linear Jahn-Teller interaction involving either nu(2) (e 2 sub g) or nu(5) (t sub 2g) cannot account for the observations of both shifts and splittings of nu(5) (T sub 8g). In order to explain all the relevant observations, theories encompassing higher order vibronic coupling terms and/or coupled nu(2)-nu(5) linear effects must be considered. Based on calculations, IrF6 is assigned an approximate D(4h) symmetry in the mixed crystals. A new electronic charge transfer state Gamma sub 7g or Gamma sub 6g is located at approx. 15900/cm and stretching vibration n nu(1)', nu(2)', nu(3)' (n = 1, 2) are identified built on this origin.
Document Details
- Document Type
- Technical Report
- Publication Date
- Oct 01, 1977
- Accession Number
- ADA046563
Entities
People
- Elliot R. Bernstein
- J. D. Webb
Organizations
- Colorado State University