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Title of Journal: Hyperfine Interact

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Abbravation: Hyperfine Interactions

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Springer Netherlands

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DOI

10.1007/s002990050366

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ISSN

1572-9540

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Mössbauer nuclear inelastic scattering and densit

Authors: V Rusanov H Paulsen L H Böttger H Winkler J A Wolny N Koop Th Dorn C Janiak A X Trautwein
Publish Date: 2008/06/03
Volume: 175, Issue: 1-3, Pages: 141-150
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Abstract

The structure of the lightinduced metastable state SII of Na2FeCN5NO·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 sideon 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

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