scholarly journals From Ligand Fields to Molecular Orbitals: Probing the Local Valence Electronic Structure of Ni2+ in Aqueous Solution with Resonant Inelastic X-ray Scattering

2013 ◽  
Vol 117 (51) ◽  
pp. 16512-16521 ◽  
Author(s):  
Kristjan Kunnus ◽  
Ida Josefsson ◽  
Simon Schreck ◽  
Wilson Quevedo ◽  
Piter S. Miedema ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Electronic Structure ◽  
Molecular Orbitals ◽  
X Ray ◽  
X Ray Scattering ◽  
Ligand Fields ◽  
Valence Electronic Structure ◽  
Ray Scattering

scholarly journals Simulations of valence excited states in coordination complexes reached through hard X-ray scattering

2020 ◽  
Vol 22 (16) ◽  
pp. 8325-8335 ◽  
Author(s):  
Erik Källman ◽  
Meiyuan Guo ◽  
Mickaël G. Delcey ◽  
Drew A. Meyer ◽  
Kelly J. Gaffney ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Excited States ◽  
Coordination Complexes ◽  
X Ray ◽  
Structure Information ◽  
X Ray Scattering ◽  
Valence Electronic Structure ◽  
Ray Scattering

Theoretical guide to the valence electronic structure information that can be extracted from hard X-ray scattering experiments.

Probing the Valence Electronic Structure of Low-Spin Ferrous and Ferric Complexes Using 2p3d Resonant Inelastic X-ray Scattering (RIXS)

2018 ◽  
Vol 57 (15) ◽  
pp. 9515-9530 ◽  
Author(s):  
Anselm W. Hahn ◽  
Benjamin E. Van Kuiken ◽  
Vijay Gopal Chilkuri ◽  
Natalia Levin ◽  
Eckhard Bill ◽  
...  
Keyword(s):  
Electronic Structure ◽  
X Ray ◽  
X Ray Scattering ◽  
Valence Electronic Structure ◽  
Ray Scattering

scholarly journals Effect of 3d/4p Mixing on 1s2p Resonant Inelastic X-ray Scattering: Electronic Structure of Oxo-Bridged Iron Dimers

2021 ◽  
Vol 143 (12) ◽  
pp. 4569-4584
Author(s):  
Thomas Kroll ◽  
Michael L. Baker ◽  
Samuel A. Wilson ◽  
Marcus Lundberg ◽  
Amélie Juhin ◽  
...  
Keyword(s):  
Electronic Structure ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

A Small-Angle X-Ray Scattering Study on Pre-Irradiated Malate Synthase. The Influence of Formate, Superoxide Dismutase, and Catalase on the X-Ray Induced Aggregation of the Enzyme

1985 ◽  
Vol 40 (5-6) ◽  
pp. 364-372 ◽  
Author(s):  
P. Zipper ◽  
R. Wilfing ◽  
M. Kriechbaum ◽  
H. Durchschlag
Keyword(s):  
Aqueous Solution ◽  
Superoxide Dismutase ◽  
Small Angle ◽  
Malate Synthase ◽  
X Ray ◽  
X Ray Scattering ◽  
X Irradiation ◽  
The Mean ◽  
Induced Aggregation ◽  
Ray Scattering

Abstract The sulfhydryl enzyme malate synthase from baker’s yeast was X-irradiated with 6 kGy in air-saturated aqueous solution (enzyme concentration: ≃ 10 mg/ml; volume: 120 μl), in the absence or presence of the specific scavengers formate, superoxide dismutase, and catalase. After X-irradiation, a small aliquot of the irradiated solutions was tested for enzymic activity while the main portion was investigated by means of small-angle X-ray scattering. Additionally, an unir­radiated sample without additives was investigated as a reference. Experiments yielded the fol­lowing results: 1. X-irradiation in the absence of the mentioned scavengers caused considerable aggregation, fragmentation, and inactivation of the enzyme. The dose Dt37 for total (= repairable + non­-repayable) inactivation resulted as 4.4 kGy. The mean radius of gyration was found to be about 13 nm. The mean degree of aggregation was obtained as 5.7, without correction for fragmenta­tion. An estimation based on the thickness factor revealed that about 19% of material might be strongly fragmented. When this amount of fragments was accordingly taken into account, a value of 7.1 was obtained as an upper limit for the mean degree of aggregation. The observed retention of the thickness factor and the finding of two different cross-section factors are in full accord with the two-dimensional aggregation model established previously (Zipper and Durchschlag, Radiat. Environ. Biophys. 18, 99 - 121 (1980)). 2. The presence of catalytic amounts of superoxide dismutase and/or catalase, in the absence of formate, during X-irradiation reduced both aggregation and inactivation significantly. 3. The presence of formate (10 or 100 mᴍ) during X-irradiation led to a strong decrease of aggregation and inactivation. This effect was more pronounced with the higher formate concen­tration or when superoxide dismutase and/or catalase were simultaneously present during X-irradiation. The presence of formate also reduced the amount of fragments significantly. 4. The results clearly show that the aggregation and inactivation of malate synthase upon X-irradiation in aqueous solution are mainly caused by OH·; to a minor extent O·̄2 and H2O2 are additionally involved in the damaging processes.

“Building Block Picture” of the Electronic Structure of Aqueous Cysteine Derived from Resonant Inelastic Soft X-ray Scattering

2014 ◽  
Vol 118 (46) ◽  
pp. 13142-13150 ◽  
Author(s):  
F. Meyer ◽  
M. Blum ◽  
A. Benkert ◽  
D. Hauschild ◽  
S. Nagarajan ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Building Block ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

Electronic Structure of Ni Complexes by X-ray Resonance Raman Spectroscopy (Resonant Inelastic X-ray Scattering)

2002 ◽  
Vol 124 (33) ◽  
pp. 9668-9669 ◽  
Author(s):  
Pieter Glatzel ◽  
Uwe Bergmann ◽  
Weiwei Gu ◽  
Hongxin Wang ◽  
Sergey Stepanov ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Electronic Structure ◽  
Resonance Raman Spectroscopy ◽  
Resonance Raman ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

Small-Angle X-ray Scattering, Light Scattering, and NMR Study of PEO−PPO−PEO Triblock Copolymer/Cationic Surfactant Complexes in Aqueous Solution

2005 ◽  
Vol 109 (15) ◽  
pp. 7073-7083 ◽  
Author(s):  
Jörgen Jansson ◽  
Karin Schillén ◽  
Markus Nilsson ◽  
Olle Söderman ◽  
Gerhard Fritz ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Light Scattering ◽  
Cationic Surfactant ◽  
Small Angle ◽  
Triblock Copolymer ◽  
X Ray ◽  
X Ray Scattering ◽  
Nmr Study ◽  
Scattering Light ◽  
Ray Scattering

Electronic structure changes in cobalt phthalocyanine due to nanotube encapsulation probed using resonant inelastic X-ray scattering

2010 ◽  
Vol 12 (33) ◽  
pp. 9693 ◽  
Author(s):  
Janine C. Swarbrick ◽  
Tsu-Chien Weng ◽  
Karina Schulte ◽  
Andrei N. Khlobystov ◽  
Pieter Glatzel
Keyword(s):  
Electronic Structure ◽  
Cobalt Phthalocyanine ◽  
X Ray ◽  
X Ray Scattering ◽  
Structure Changes ◽  
Ray Scattering
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