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742 results on '"Zhao, Jiyong"'

308. Reactive Vibrational Dynamics of Iron in Heme

Author

Barabanschikov, Alexander, primary, Sage, J. Timothy, additional, Scheidt, W. Robert, additional, Hu, Chuanjiang, additional, Kubo, Minoru, additional, Champion, Paul M., additional, Zhao, Jiyong, additional, Sturhahn, Wolfgang, additional, and Alp, E. Ercan, additional

Published
2009
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313. Pressure-induced magnetic transition and sound velocities of Fe3C: Implications for carbon in the Earth's inner core

Author

Gao, Lili, primary, Chen, Bin, additional, Wang, Jingyun, additional, Alp, Esen E., additional, Zhao, Jiyong, additional, Lerche, Michael, additional, Sturhahn, Wolfgang, additional, Scott, Henry P., additional, Huang, Fang, additional, Ding, Yang, additional, Sinogeikin, Stanislav V., additional, Lundstrom, Craig C., additional, Bass, Jay D., additional, and Li, Jie, additional

Published
2008
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315. Dynamics of Rhodobacter capsulatus [2Fe-2S] Ferredoxin VI and Aquifex aeolicus Ferredoxin 5 via Nuclear Resonance Vibrational Spectroscopy (NRVS) and Resonance Raman Spectroscopy

Author

Xiao, Yuming, primary, Tan, Ming-Liang, additional, Ichiye, Toshiko, additional, Wang, Hongxin, additional, Guo, Yisong, additional, Smith, Matt C., additional, Meyer, Jacques, additional, Sturhahn, Wolfgang, additional, Alp, Ercan E., additional, Zhao, Jiyong, additional, Yoda, Yoshitaka, additional, and Cramer, Stephen P., additional

Published
2008
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319. Phonon Density of States of Metallic Sn at High Pressure

Author

Giefers, Hubertus, primary, Tanis, Elizabeth A., additional, Rudin, Sven P., additional, Greeff, Carl, additional, Ke, Xuezhi, additional, Chen, Changfeng, additional, Nicol, Malcolm F., additional, Pravica, Michael, additional, Pravica, Walter, additional, Zhao, Jiyong, additional, Alatas, Ahmet, additional, Lerche, Michael, additional, Sturhahn, Wolfgang, additional, and Alp, Ercan, additional

Published
2007
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320. Quantitative Vibrational Dynamics of Iron in Carbonyl Porphyrins

Author

Leu, Bogdan M., primary, Silvernail, Nathan J., additional, Zgierski, Marek Z., additional, Wyllie, Graeme R.A., additional, Ellison, Mary K., additional, Scheidt, W. Robert, additional, Zhao, Jiyong, additional, Sturhahn, Wolfgang, additional, Alp, E. Ercan, additional, and Sage, J. Timothy, additional

Published
2007
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327. How Nitrogenase Shakes − Initial Information about P−Cluster and FeMo-cofactor Normal Modes from Nuclear Resonance Vibrational Spectroscopy (NRVS)

Author

Xiao, Yuming, primary, Fisher, Karl, additional, Smith, Matt C., additional, Newton, William E., additional, Case, David A., additional, George, Simon J., additional, Wang, Hongxin, additional, Sturhahn, Wolfgang, additional, Alp, Ercan E., additional, Zhao, Jiyong, additional, Yoda, Yoshitaka, additional, and Cramer, Stephen P., additional

Published
2006
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330. Normal Mode Analysis of Pyrococcus furiosus Rubredoxin via Nuclear Resonance Vibrational Spectroscopy (NRVS) and Resonance Raman Spectroscopy

Author

Xiao, Yuming, primary, Wang, Hongxin, additional, George, Simon J., additional, Smith, Matt C., additional, Adams, Michael W. W., additional, Jenney,, Francis E., additional, Sturhahn, Wolfgang, additional, Alp, Ercan E., additional, Zhao, Jiyong, additional, Yoda, Y., additional, Dey, Abishek, additional, Solomon, Edward I., additional, and Cramer, Stephen P., additional

Published
2005
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345. Nuclear forward scattering vs. conventional Mössbauer studies of atomically tailored Eu-based materials.

Author

Konjhodzic, A., Adamczyk, A., Vagizov, F., Hasan, Z., Alp, E. E., Sturhahn, W., Zhao, Jiyong, and Carroll, J. J.

Abstract

With the decrease in size of devices, rapid characterization of nano-devices is an inevitable necessity. It is shown that Mössbauer spectroscopy using synchrotron radiation from the advanced photon source provides such a tool of investigation. Results are presented and compared for conventional Mössbauer and Nuclear Forward Scattering for 151Eu-doped magnesium sulfide as an example, especially at low concentrations. [ABSTRACT FROM AUTHOR]

Published
2007
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347. Unusual Synthetic Pathway for an {Fe(NO)2}9Dinitrosyl Iron Complex (DNIC) and Insight into DNIC Electronic Structure via Nuclear Resonance Vibrational Spectroscopy

Author

Speelman, Amy L., Zhang, Bo, Silakov, Alexey, Skodje, Kelsey M., Alp, E. Ercan, Zhao, Jiyong, Hu, Michael Y., Kim, Eunsuk, Krebs, Carsten, and Lehnert, Nicolai

Abstract

Dinitrosyl iron complexes (DNICs) are among the most abundant NO-derived cellular species. Monomeric DNICs can exist in the {Fe(NO)2}9or {Fe(NO)2}10oxidation state (in the Enemark–Feltham notation). However, experimental studies of analogous DNICs in both oxidation states are rare, which prevents a thorough understanding of the differences in the electronic structures of these species. Here, the {Fe(NO)2}9DNIC [Fe(dmp)(NO)2](OTf) (1; dmp = 2,9-dimethyl-1,10-phenanthroline) is synthesized from a ferrous precursor via an unusual pathway, involving disproportionation of an {FeNO}7complex to yield the {Fe(NO)2}9DNIC and a ferric species, which is subsequently reduced by NO gas to generate a ferrous complex that re-enters the reaction cycle. In contrast to most {Fe(NO)2}9DNICs with neutral N-donor ligands, 1exhibits high solution stability and can be characterized structurally and spectroscopically. Reduction of 1yields the corresponding {Fe(NO)2}10DNIC [Fe(dmp)(NO)2] (2). The Mössbauer isomer shift of 2is 0.08 mm/s smaller than that of 1, which indicates that the iron center is slightly more oxidized in the reduced complex. The nuclear resonance vibrational spectra (NRVS) of 1and 2are distinct and provide direct experimental insight into differences in bonding in these complexes. In particular, the symmetric out-of-plane Fe–N–O bending mode is shifted to higher energy by 188 cm–1in 2in comparison to 1. Using quantum chemistry centered normal coordinate analysis (QCC-NCA), this is shown to arise from an increase in Fe–NO bond order and a stiffening of the Fe(NO)2unit upon reduction of 1to 2. DFT calculations demonstrate that the changes in bonding arise from an iron-centered reduction which leads to a distinct increase in Fe–NO π-back-bonding in {Fe(NO)2}10DNICs in comparison to the corresponding {Fe(NO)2}9complexes, in agreement with all experimental findings. Finally, the implications of the electronic structure of DNICs for their reactivity are discussed, especially with respect to N–N bond formation in NO reductases.

Published
2016
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348. Equation of state and spin crossover of (Mg,Fe)O at high pressure, with implications for explaining topographic relief at the core-mantle boundary

Author

Solomatova, Natalia V., Jackson, Jennifer M., Sturhahn, Wolfgang, Wicks, June K., Zhao, Jiyong, Toellner, Thomas S., Kalkan, Bora, and Steinhardt, William M.

Abstract

Iron-bearing periclase is thought to represent a significant fraction of Earth’s lower mantle. However, the concentration of iron in (Mg,Fe)O is not well constrained at all mantle depths. Therefore, understanding the effect of iron on the density and elastic properties of this phase plays a major role in interpreting seismically observed complexity in the deep Earth. Here we examine the high-pressure behavior of polycrystalline (Mg,Fe)O containing 48 mol% FeO, loaded hydrostatically with neon as a pressure medium. Using X-ray diffraction and synchrotron Mössbauer spectroscopy, we measure the equation of state to about 83 GPa and hyperfine parameters to 107 GPa at 300 K. A gradual volume drop corresponding to a high-spin (HS) to low-spin (LS) crossover is observed between ~45 and 83 GPa with a volume drop of 1.85% at 68.8(2.7) GPa, the calculated spin transition pressure. Using a newly formulated spin crossover equation of state, the resulting zero-pressure isothermal bulk modulus K0T,HSfor the HS state is 160(2) GPa with a K0T,HS′$K_{0{\rm{T,HS}}}^\prime $of 4.12(14) and a V0,HSof 77.29(0) Å3. For the LS state, the K0T,LSis 173(13) GPa with a K0T,LS′$K_{0{\rm{T,LS}}}^\prime $fixed to 4 and a V0,LSof 73.64(94) Å3. To confirm that the observed volume drop is due to a spin crossover, the quadrupole splitting (QS) and isomer shift (IS) are determined as a function of pressure. At low pressures, the Mössbauer spectra are well explained with two Fe2+-like sites. At pressure between 44 and 84, two additional Fe2+-like sites with a QS of 0 are required, indicative of low-spin iron. Above 84 GPa, two low-spin Fe2+-like sites with increasing weight fraction explain the data well, signifying the completion of the spin crossover. To systematically compare the effect of iron on the equation of state parameters for (Mg,Fe)O, a spin crossover equation of state was fitted to the pressure-volume data of previous measurements. Our results show that K0,HSis insensitive to iron concentration between 10 to 60 mol% FeO, while the spin transition pressure and width generally increases from about 50–80 and 2–25 GPa, respectively. A key implication is that iron-rich (Mg,Fe)O at the core-mantle boundary would likely contain a significant fraction of high-spin (less dense) iron, contributing a positive buoyancy to promote observable topographic relief in tomographic images of the lowermost mantle.

Published
2016
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