An investigation of the first-order spin-state transition in Fe(Phen)2(NCS)2 EXAFS and infrared spectroscopy

Sankar, G. ; Thomas, John Meurig ; Varma, Vijay ; Kulkarni, G. U. ; Rao, C. N. R. (1996) An investigation of the first-order spin-state transition in Fe(Phen)2(NCS)2 EXAFS and infrared spectroscopy Chemical Physics Letters, 251 (1-2). pp. 79-83. ISSN 0009-2614

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Official URL: http://www.sciencedirect.com/science/article/pii/0...

Related URL: http://dx.doi.org/10.1016/0009-2614(96)00071-1

Abstract

The structure of Fe(Phen)2(NCS)2 has been examined across the first-order spin-state transition by EXAFS with full multiple scattering analysis. The EXAFS data at 298 K can be satisfactorily assigned to the high-spin state, but the analysis of the low-temperature data at 90 K is not entirely unequivocal, although consistent with the predominant presence of the low-spin state. That some proportion of the high-spin state remains at low temperatures, well below the first-order transition, is clearly evidenced in the infrared spectra, suggesting possible sublattice ordering.

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