Nuclear Resonance Scattering of Synchrotron Radiation as a Unique Electronic, Structural, and Thermodynamic Probe

Ercan, E.; Sturhahn, W.; Toellner, T. S.; Zhao, Jiyong; Leu, Bogdan M.

doi:10.1007/978-3-642-17952-5_17

Cited by 3 publications

(6 citation statements)

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“…Moreover, the hygroscopic nature of Eu 2 O 3 favors the formation of Eu hydrates and hydroxides, which further contaminate the sesquioxide. Using a commercially available Eu 2 O 3 powder, the Eu-partial phonon DOS was determined by NIS on the Mössbauer-active isotope 151 Eu of europium. , Sufficient details, however, of the sample characterization were either not presented or confirmed the problems described above. Therefore, to investigate the pure cubic sesquioxide phase, a 20 nm thick Eu 2 O 3 film was deposited on a YSZ(001) substrate in the ultrahigh vacuum system located at the Nuclear Resonance Beamline ID18 of the ESRF-The European Synchrotron in Grenoble, France.…”

Section: Experimental Resultsmentioning

confidence: 99%

Lattice Dynamics and Structural Phase Transitions in Eu₂O₃

et al. 2021

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Using the density functional theory, we study the structural and lattice dynamical properties of europium sesquioxide (Eu 2 O 3 ) in the cubic, trigonal, and monoclinic phases. The obtained lattice parameters and energies of the Raman modes show a good agreement with the available experimental data. The Eu-partial phonon density of states calculated for the cubic structure is compared with the nuclear inelastic scattering data obtained from a 20 nm thick Eu 2 O 3 film deposited on a YSZ substrate. A small shift of the experimental spectrum to higher energies results from a compressive strain induced by the substrate. On the basis of lattice and phonon properties, we analyze the mechanisms of structural transitions between different phases of Eu 2 O 3 .

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Section: Experimental Resultsmentioning

confidence: 99%

Lattice Dynamics and Structural Phase Transitions in Eu₂O₃

et al. 2021

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“…The combination also provides for a powerful examination of mode localization. An important example was given in the characterization of the highest frequency mode observed in the six-coordinate {FeNO} 7 nitrosyls that differs significantly from the conventional description given in Raman studies and is quite different from that arising from the 14 NO/ 15 NO isotope-labeled study. The NRVS-defined atom motions were found to be quite different from that of a classical Fe−N(NO) stretch as inferred by some from Raman spectra.…”

Section: Discussionmentioning

confidence: 99%

“…The 30 cm −1 increase is inconsistent with the 0.03 Å longer and thus weaker Fe−NO bond found in the small molecule analogues. The 552 cm −1 assignment was based on a 15 cm −1 shift in this frequency when 14 NO was replaced by 15 NO (in resonance Raman studies). However, see further discussion in section 3.5.…”

Section: Nitrosyl (No) Speciesmentioning

confidence: 99%

“…Circles filled in red (for 57 Fe) or cyan indicate resonances for which NRVS measurements have been reported. Data obtained from refs ( 12 ) and ( 14 ). Relative abundance of metalloproteins containing metals other than iron and zinc is less than 3% in P. furiosus , one of a few microorganisms for which the metalloproteome is well characterized (data reported in ref ( 15 )).…”

Section: Introductionmentioning

confidence: 99%

“…NRVS is a synchrotron-based vibrational spectroscopy technique with unique selectivity for vibrations involving displacement of Mössbauer-active nuclei; these include 83 Kr, 119 Sn, 157 Eu, 161 Dy, 121 Sb, 125 Te, and 57 Fe. − To date, successful measurements utilize nuclear resonances with transition energies below 70 keV, because source intensity and detector efficiency both decrease with increasing photon energy and with excited state lifetimes longer than 0.6 ns, because of limited detector time resolution. The left panel of Figure displays isotopes with nuclear resonances for which experimental capabilities currently exist, and NRVS measurements have been reported for those indicated by filled symbols.…”

Section: Introductionmentioning

confidence: 99%

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What Can Be Learned from Nuclear Resonance Vibrational Spectroscopy: Vibrational Dynamics and Hemes

Scheidt

Sage

2017

Chem. Rev.

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Nuclear resonance vibrational spectroscopy (NRVS; also known as nuclear inelastic scattering, NIS) is a synchrotron-based method that reveals the full spectrum of vibrational dynamics for Mössbauer nuclei. Another major advantage, in addition to its completeness (no arbitrary optical selection rules), is the unique selectivity of NRVS. The basics of this recently developed technique are first introduced with descriptions of the experimental requirements and data analysis including the details of mode assignments. We discuss the use of NRVS to probe 57Fe at the center of heme and heme protein derivatives yielding the vibrational density of states for the iron. The application to derivatives with diatomic ligands (O2, NO, CO, CN–) shows the strong capabilities of identifying mode character. The availability of the complete vibrational spectrum of iron allows the identification of modes not available by other techniques. This permits the correlation of frequency with other physical properties. A significant example is the correlation we find between the Fe–Im stretch in six-coordinate Fe(XO) hemes and the trans Fe–N(Im) bond distance, not possible previously. NRVS also provides uniquely quantitative insight into the dynamics of the iron. For example, it provides a model-independent means of characterizing the strength of iron coordination. Prediction of the temperature-dependent mean-squared displacement from NRVS measurements yields a vibrational “baseline” for Fe dynamics that can be compared with results from techniques that probe longer time scales to yield quantitative insights into additional dynamical processes.

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¹²⁹ Xe nuclear resonance scattering on solid Xe and ¹²⁹ Xe clathrate hydrate

Klobes

Desmedt

Sergueev

et al. 2013

EPL

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PACS 63.20.D--Phonon states and bands, normal modes, and phonon dispersion PACS 23.20.Lv -Electromagnetic transitions: γ transitions and level energies PACS 29.30.Kv -X and γ-ray spectroscopy Abstract -Nuclear inelastic and nuclear forward-scattering experiments utilizing the 129 Xe Mössbauer resonance were performed on solid Xe and enriched 129 Xe clathrate hydrate. The lifetime and energy of the nuclear resonance were determined to be 1.465(72) ns and 39581.30(4) eV, respectively. Nuclear inelastic scattering spectra could be obtained with an instrumental resolution of 0.93(4) meV. Despite low Lamb-Mössbauer factors, Xe specific densities of phonon states were derived for solid Xe and Xe clathrate hydrate. Their reliability was investigated using 1-phonon terms obtained by fixing Lamb-Mössbauer factor values within the applied Fourier-Log decomposition. ABINIT calculations of the density of phonon states in solid Xe supplement the interpretation of the experimental data for fcc Xe and good agreement with published densities of phonon states could be achieved below 4 meV. Results for the Xe clathrate hydrate essentially confirm the rattling nature of the Xe guests and indicate that Xe modes do not contribute to lattice dynamics above 6 meV.

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Nuclear Resonance Scattering of Synchrotron Radiation as a Unique Electronic, Structural, and Thermodynamic Probe

Cited by 3 publications

References 74 publications

Lattice Dynamics and Structural Phase Transitions in Eu₂O₃

Lattice Dynamics and Structural Phase Transitions in Eu₂O₃

What Can Be Learned from Nuclear Resonance Vibrational Spectroscopy: Vibrational Dynamics and Hemes

¹²⁹ Xe nuclear resonance scattering on solid Xe and ¹²⁹ Xe clathrate hydrate

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Nuclear Resonance Scattering of Synchrotron Radiation as a Unique Electronic, Structural, and Thermodynamic Probe

Cited by 3 publications

References 74 publications

Lattice Dynamics and Structural Phase Transitions in Eu2O3

Lattice Dynamics and Structural Phase Transitions in Eu2O3

What Can Be Learned from Nuclear Resonance Vibrational Spectroscopy: Vibrational Dynamics and Hemes

129 Xe nuclear resonance scattering on solid Xe and 129 Xe clathrate hydrate

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Lattice Dynamics and Structural Phase Transitions in Eu₂O₃

Lattice Dynamics and Structural Phase Transitions in Eu₂O₃

¹²⁹ Xe nuclear resonance scattering on solid Xe and ¹²⁹ Xe clathrate hydrate