Ultrafast Proton Dynamics in Aqueous Amino Acid Solutions Studied by Resonant Inelastic Soft X-ray Scattering

被引：41

作者：

Blum, M. ^{[1
,2
,3
]}

Odelius, M. ^{[4
]}

Weinhardt, L. ^{[1
,3
,6
]}

Pookpanratana, S. ^{[1
]}

Baer, M. ^{[1
,7
,8
]}

Zhang, Y. ^{[1
]}

Fuchs, O. ^{[3
]}

Yang, W. ^{[2
]}

Umbach, E.

Heske, C. ^{[1
,5
,6
,9
]}

机构：

[1] Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA

[2] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA

[3] Univ Wurzburg, Wurzburg, Germany

[4] Stockholm Univ, Albanova Univ Ctr, Fysikum, S-10691 Stockholm, Sweden

[5] Karlsruhe Inst Technol, Inst Chem Technol & Polymer Chem, Karlsruhe, Germany

[6] Inst Photon Sci & Synchrotron Radiat, Karlsruhe, Germany

[7] Helmholtz Zentrum Berlin Mat & Energie GmbH, Solar Energy Res, Berlin, Germany

[8] Brandenburg Tech Univ Cottbus, D-03044 Cottbus, Germany

[9] Karlsruhe Inst Technol, ANKA Synchrotron Radiat Facil, Karlsruhe, Germany

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2012年 / 116卷 / 46期

基金：

瑞典研究理事会;

关键词：

INNERSHELL ABSORPTION-SPECTROSCOPY; ELECTRONIC-STRUCTURE; PHOTOELECTRON-SPECTROSCOPY; INDUCED DECOMPOSITION; PHOTOEMISSION-SPECTROSCOPY; SURFACE-CHEMISTRY; SHELL EXCITATION; GLYCYL-GLYCINE; SPECTRA; ADSORPTION;

D O I：

10.1021/jp302958j

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Resonant inelastic soft X-ray scattering (RIXS) has been used to study the electronic structure of glycine and lysine in aqueous solution. Upon variation of the pH value of the solution from acidic to basic, major changes of the nitrogen K edge RIXS data are observed for both amino acids, which are associated with the protonation and deprotonation of the amino groups. The experimental results are compared with simulations based on density functional theory, yielding a detailed understanding of the spectral changes, as well as insights into the ultrafast proton dynamics in the intermediate core-excited/ionized state of the RIXS process.

引用

页码：13757 / 13764

页数：8

共 63 条

[1] Cation-specific interactions with carboxylate in amino acid and acetate aqueous solutions:: X-ray absorption and ab initio calculations [J].