Vibrational Dynamics Studies by Nuclear Resonant Inelastic X-Ray Scattering

E., E.; Sturhahn, W.; Toellner, T. S.; Zhao, Jiyong; Hu, Michael Y.; Brown, Dennis E.

doi:10.1007/978-94-010-0045-1_1

Cited by 11 publications

(14 citation statements)

References 51 publications

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“…The detector is an Avalanche Photo-Diode (APD). Extensive details on NRIXS and its applications can be found in several contributions (Sturhahn et al, 1995;Chumakov and Sturhahn, 1999;Alp et al, 2002;Sturhahn and Jackson, 2007). Interactions of the incident beam with the sample are described in more detail below.…”

Section: Principles Of Nrixs Spectroscopy and Experimental Setupmentioning

confidence: 99%

A general moment NRIXS approach to the determination of equilibrium Fe isotopic fractionation factors: Application to goethite and jarosite

Dauphas

Roskosz

Alp

et al. 2012

Geochimica et Cosmochimica Acta

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119

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The equilibrium Fe isotopic fractionation factors of goethite and jarosite have considerable importance for interpreting Fe isotope variations in low temperature aqueous systems on Earth and possibly Mars in the context of future sample return missions. We measured the b-factors of goethite FeO(OH), potassium-jarosite KFe 3 (SO 4 ) 2 (OH) 6 , and hydronium-jarosite (H 3 O)Fe 3 (SO 4 ) 2 (OH) 6 , by Nuclear Resonant Inelastic X-ray Scattering (NRIXS, also known as Nuclear Resonance Vibrational Spectroscopy -NRVS or Nuclear Inelastic Scattering -NIS) at the Advanced Photon Source. These measurements were made on synthetic minerals enriched in 57 Fe. A new method (i.e., the general moment approach) is presented to calculate b-factors from the moments of the NRIXS spectrum S(E). The first term in the moment expansion controls iron isotopic fractionation at high temperature and corresponds to the mean force constant of the iron bonds, a quantity that is readily measured and often reported in NRIXS studies. The mean force constants of goethite, potassium-jarosite, and hydronium-jarosite are 314 ± 14, 264 ± 12, and 310 ± 14 N/m, respectively (uncertainties include statistical and systematic errors). The general moment approach gives 56 Fe/ 54 Fe b-factors of 9.7, 8.3, and 9.5& at 22°C for these minerals. The b-factor of goethite measured by NRIXS is larger than that estimated by combining results from laboratory exchange experiments and calculations based on electronic structure theory. Similar issues have been identified previously for other pairs of mineral-aqueous species, which could reflect inadequacies of approaches based on electronic structure theory to calculate absolute b-factors (differences in b-factors between aqueous species may be more accurate) or failure of laboratory experiments to measure mineral-fluid equilibrium isotopic fractionation at low temperature. We apply the force constant approach to published NRIXS data and report 1000 Â ln b for important Fe-bearing phases of geological and biochemical relevance such as myoglobin, cytochrome f, pyroxene, metal, troilite, chalcopyrite, hematite, and magnetite.

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Section: Principles Of Nrixs Spectroscopy and Experimental Setupmentioning

confidence: 99%

A general moment NRIXS approach to the determination of equilibrium Fe isotopic fractionation factors: Application to goethite and jarosite

Dauphas

Roskosz

Alp

et al. 2012

Geochimica et Cosmochimica Acta

Self Cite

119

View full text Add to dashboard Cite

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“…Although it has been long recognized that x-rays may also be used to probe lattice dynamics, it was not until the arrival of the third generation synchrotron that the meV resolved IXS (also referred as HERIX) was established for measuring phonon dispersion, first at HASYLAB [279], Germany, and then at ESRF [280], APS [281], and Spring-8 [282]. The HERIX instrument is designed to study the phonon dispersion in crystals and the collective atomic excitations in disordered systems.…”

Section: Hp Mev Resolved Inelastic X-ray Scatteringmentioning

confidence: 99%

High-pressure studies with x-rays using diamond anvil cells

2016

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Pressure profoundly alters all states of matter. The symbiotic development of ultrahighpressure diamond anvil cells, to compress samples to sustainable multi-megabar pressures; and synchrotron x-ray techniques, to probe materials' properties in situ, has enabled the exploration of rich high-pressure (HP) science. In this article, we first introduce the essential concept of diamond anvil cell technology, together with recent developments and its integration with other extreme environments. We then provide an overview of the latest developments in HP synchrotron techniques, their applications, and current problems, followed by a discussion of HP scientific studies using x-rays in the key multidisciplinary fields. These HP studies include: HP x-ray emission spectroscopy, which provides information on the filled electronic states of HP samples; HP x-ray Raman spectroscopy, which probes the HP chemical bonding changes of light elements; HP electronic inelastic x-ray scattering spectroscopy, which accesses high energy electronic phenomena, including electronic band structure, Fermi surface, excitons, plasmons, and their dispersions; HP resonant inelastic x-ray scattering spectroscopy, which probes shallow core excitations, multiplet structures, and spin-resolved electronic structure; HP nuclear resonant x-ray spectroscopy, which provides phonon densities of state and time-resolved Mössbauer information; HP x-ray imaging, which provides information on hierarchical structures, dynamic processes, and internal strains; HP x-ray diffraction, which determines the fundamental structures and densities of single-crystal, polycrystalline, nanocrystalline, and non-crystalline materials; and HP radial x-ray diffraction, which yields deviatoric, elastic and rheological information. Integrating these tools with hydrostatic or uniaxial pressure media, laser and resistive heating, and cryogenic cooling, has enabled investigations of the structural, vibrational, electronic, and magnetic properties of materials over a wide range of pressure-temperature conditions.

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“…NRVS only probes the vibrational modes in which 57 Fe nuclei move along the incident beam direction [21,25,26]. This unique selection rule makes NRVS free of any interference from solvent and other protein vibrations (which often limit FT-IR spectroscopy) and independent of particular oxidation states (which often restricts resonance Raman spectroscopy) [5,7].…”

Section: Introductionmentioning

confidence: 99%

Nuclear resonance vibrational spectroscopy (NRVS) of rubredoxin and MoFe protein crystals

et al. 2012

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We have applied 57Fe nuclear resonance vibrational spectroscopy (NRVS) for the first time to study the dynamics of Fe centers in Fe-S protein crystals, including oxidized wild type rubredoxin crystals from Pyrococcus furiosus, and the MoFe protein of nitrogenase from Azotobacter vinelandii. Thanks to the NRVS selection rule, selectively probed vibrational modes have been observed in both oriented rubredoxin and MoFe protein crystals. The NRVS work was complemented by extended X-ray absorption fine structure spectroscopy (EXAFS) measurements on oxidized wild type rubredoxin crystals from Pyrococcus furiosus. The EXAFS spectra revealed the Fe-S bond length difference in oxidized Pf Rd protein, which is qualitatively consistent with the X-ray crystal structure.

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Vibrational Dynamics Studies by Nuclear Resonant Inelastic X-Ray Scattering

Cited by 11 publications

References 51 publications

A general moment NRIXS approach to the determination of equilibrium Fe isotopic fractionation factors: Application to goethite and jarosite

A general moment NRIXS approach to the determination of equilibrium Fe isotopic fractionation factors: Application to goethite and jarosite

High-pressure studies with x-rays using diamond anvil cells

Nuclear resonance vibrational spectroscopy (NRVS) of rubredoxin and MoFe protein crystals

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