TY  - JOUR
A1  - Yin, Zhong
A1  - Inhester, Ludger
A1  - Veedu, Sreevidya Thekku
A1  - Quevedo, Wilson
A1  - Pietzsch, Annette
A1  - Wernet, Philippe
A1  - Groenhof, Gerrit
A1  - Föhlisch, Alexander
A1  - Grubmueller, Helmut
A1  - Techert, Simone
T1  - Cationic and Anionic Impact on the Electronic Structure of Liquid Water
JF  - The journal of physical chemistry letters
N2  - Hydration shells around ions are crucial for many fundamental biological and chemical processes. Their local physicochemical properties are quite different from those of bulk water and hard to probe experimentally. We address this problem by combining soft X-ray spectroscopy using a liquid jet and molecular dynamics (MD) simulations together with ab initio electronic structure calculations to elucidate the water ion interaction in a MgCl2 solution at the molecular level. Our results reveal that salt ions mainly affect the electronic properties of water molecules in close vicinity and that the oxygen K-edge X-ray emission spectrum of water molecules in the first solvation shell differs significantly from that of bulk water. Ion-specific effects are identified by fingerprint features in the water X-ray emission spectra. While Mg2+ ions cause a bathochromic shift of the water lone pair orbital, the 3p orbital of the Cl- ions causes an additional peak in the water emission spectrum at around 528 eV.
Y1  - 2017
U6  - https://doi.org/10.1021/acs.jpclett.7b01392
SN  - 1948-7185
VL  - 8
SP  - 3759
EP  - 3764
PB  - American Chemical Society
CY  - Washington
ER  - 
TY  - JOUR
A1  - Yin, Zhong
A1  - Rajkovic, Ivan
A1  - Veedu, Sreevidya Thekku
A1  - Deinert, Sascha
A1  - Raiser, Dirk
A1  - Jain, Rohit
A1  - Fukuzawa, Hironobu
A1  - Wada, Shin-ichi
A1  - Quevedo, Wilson
A1  - Kennedy, Brian
A1  - Schreck, Simon
A1  - Pietzsch, Annette
A1  - Wernet, Philippe
A1  - Ueda, Kyoshi
A1  - Föhlisch, Alexander
A1  - Techert, Simone
T1  - Ionic solutions probed by resonant inelastic X-ray scattering
JF  - Zeitschrift für physikalische Chemie : international journal of research in physical chemistry and chemical physics
N2  - X-ray spectroscopy is a powerful tool to study the local charge distribution of chemical systems. Together with the liquid jet it becomes possible to probe chemical systems in their natural environment, the liquid phase. In this work, we present X-ray absorption (XA), X-ray emission (XE) and resonant inelastic X-ray scattering (RIXS) data of pure water and various salt solutions and show the possibilities these methods offer to elucidate the nature of ion-water interaction.
KW  - X-ray Spectroscopy
KW  - XAS
KW  - XES
KW  - RIXS
KW  - Anions
KW  - Cations
KW  - Liquid Jet
KW  - Synchrotron Radiation
Y1  - 2015
U6  - https://doi.org/10.1515/zpch-2015-0610
SN  - 0942-9352
VL  - 229
IS  - 10-12
SP  - 1855
EP  - 1867
PB  - De Gruyter
CY  - Berlin
ER  - 
TY  - JOUR
A1  - Yin, Zhong
A1  - Rajkovic, Ivan
A1  - Kubicek, Katharina
A1  - Quevedo, Wilson
A1  - Pietzsch, Annette
A1  - Wernet, Philippe
A1  - Föhlisch, Alexander
A1  - Techert, Simone
T1  - Probing the Hofmeister effect with ultrafast core-hole spectroscopy
JF  - The journal of physical chemistry : B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry
N2  - In the current work, X-ray emission spectra of aqueous solutions of different inorganic salts within the Hofmeister series are presented. The results reflect the direct interaction of the ions with the water molecules and therefore, reveal general properties of the salt-water interactions. Within the experimental precision a significant effect of the ions on the water structure has been observed but no ordering according to the structure maker/structure breaker concept could be mirrored in the results indicating that the Hofmeister effect if existent may be caused by more complex interactions.
Y1  - 2014
U6  - https://doi.org/10.1021/jp504577a
SN  - 1520-6106
VL  - 118
IS  - 31
SP  - 9398
EP  - 9403
PB  - American Chemical Society
CY  - Washington
ER  -