Resonant inelastic x-ray scattering on iso-C2H2Cl2 around the chlorine K-edge: Structural and dynamical aspects

被引：5

作者：

Kawerk, Elie ^{[1
,2
,3
,4
]}

Carniato, Stephane ^{[1
,2
]}

Journel, Loic ^{[1
,2
]}

Marchenko, Tatiana ^{[1
,2
]}

Piancastelli, Maria Novella ^{[1
,2
,5
]}

Zitnik, Matjaz ^{[6
]}

Bucar, Klemen ^{[6
]}

Bohnic, Rok ^{[6
]}

Kavcic, Matjaz ^{[6
]}

Ceolin, Denis ^{[7
]}

Khoury, Antonio ^{[3
]}

Simon, Marc ^{[1
,2
]}

机构：

[1] CNRS, UMR 7614, Lab Chim Phys Matiere & Rayonnement, F-75005 Paris, France

[2] Univ Paris 06, Sorbonne Univ, UMR 7614, Lab Chim Phys Matiere & Rayonnement, F-75005 Paris, France

[3] Univ Libanaise, Fac Sci 2, Lab Phys Appl, Jdeidet El Metn 90656, Lebanon

[4] Univ Trieste, Dipartimento Sci Chim, I-34127 Trieste, Italy

[5] Uppsala Univ, Dept Phys & Astron, SE-75120 Uppsala, Sweden

[6] Jozef Stefan Inst, SI-1000 Ljubljana, Slovenia

[7] LOrme Merisiers, Synchrotron SOLEIL, F-91192 Gif Sur Yvette, France

来源：

JOURNAL OF CHEMICAL PHYSICS | 2014年 / 141卷 / 14期

关键词：

CORE EXCITATIONS; ISO-DICHLOROETHYLENE; SPECTROSCOPY; MOLECULES; ORBITALS; ELECTRON; EMISSION; STATES; ATOMS; TRANS;

D O I：

10.1063/1.4897251

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：

We report a theoretical and experimental study of the high resolution resonant K-alpha X-ray emission lines around the chlorine K-edge in gas phase 1,1-dichloroethylene. With the help of ab initio electronic structure calculations and cross section evaluation, we interpret the lowest lying peak in the X-ray absorption and emission spectra. The behavior of the K-alpha emission lines with respect to frequency detuning highlights the existence of femtosecond nuclear dynamics on the dissociative Potential Energy Surface of the first K-shell core-excited state. (C) 2014 AIP Publishing LLC.

引用

页数：11

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