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Hyperfine Interactions

, Volume 175, Issue 1–3, pp 141–150 | Cite as

Mössbauer, nuclear inelastic scattering and density functional studies on the second metastable state of Na2[Fe(CN)5NO]·2H2O

  • V. Rusanov
  • H. PaulsenEmail author
  • L. H. Böttger
  • H. Winkler
  • J. A. Wolny
  • N. Koop
  • Th. Dorn
  • C. Janiak
  • A. X. Trautwein
Article

Abstract

The structure of the light-induced metastable state SII of Na2[Fe(CN)5NO]·2H2O was investigated by transmission Mössbauer spectroscopy (TMS) in the temperature range between 85 and 135 K, nuclear inelastic scattering (NIS) at 98 K using synchrotron radiation and density functional theory (DFT) calculations. The DFT and TMS results strongly support the view that the NO group in SII takes a side-on molecular orientation and, further, is dynamically displaced from one eclipsed, via a staggered, to a second eclipsed orientation. The population conditions for generating SII are optimal for measurements by TMS, yet they are modest for accumulating NIS spectra. Optimization of population conditions for NIS measurements is discussed and new NIS experiments on SII are proposed.

Keywords

Density functional calculations Metastable states Mössbauer spectroscopy Nuclear inelastic scattering 

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Copyright information

© Springer Science+Business Media B.V. 2008

Authors and Affiliations

  • V. Rusanov
    • 1
  • H. Paulsen
    • 2
    Email author
  • L. H. Böttger
    • 2
  • H. Winkler
    • 2
  • J. A. Wolny
    • 2
  • N. Koop
    • 3
  • Th. Dorn
    • 4
  • C. Janiak
    • 4
  • A. X. Trautwein
    • 2
  1. 1.Department of Atomic Physics, Faculty of PhysicsUniversity of SofiaSofiaBulgaria
  2. 2.Institut für PhysikUniversität zu LübeckLübeckGermany
  3. 3.Institut für Biomedizinische OptikUniversität zu LübeckLübeckGermany
  4. 4.Institut für Anorganische und Analytische ChemieUniversität FreiburgFreiburgGermany

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