Positive and negative ion formation in deep-core excited molecules: S 1s excitation in dimethyl sulfoxide

被引：1

作者：

Coutinho, L. H. ^{[1
]}

Gardenghi, D. J. ^{[2
]}

Schlachter, A. S. ^{[3
]}

de Souza, G. G. B. ^{[4
]}

Stolte, W. C. ^{[2
,3
]}

机构：

[1] Univ Fed Rio de Janeiro, Inst Phys, BR-21941972 Rio De Janeiro, RJ, Brazil

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

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

[4] Univ Fed Rio de Janeiro, Inst Chem, BR-21949900 Rio De Janeiro, RJ, Brazil

来源：

JOURNAL OF CHEMICAL PHYSICS | 2014年 / 140卷 / 02期

基金：

美国国家科学基金会;

关键词：

DENSITY-FUNCTIONAL THEORY; PHOTOFRAGMENTATION; PHOTOEXCITATION; SITE; DISSOCIATION; SPECTROSCOPY; SPECTRA; ATOMS; PROBE; BLUE;

D O I：

10.1063/1.4861050

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：

The photo-fragmentation of the dimethyl sulfoxide (DMSO) molecule was studied using synchrotron radiation and a magnetic mass spectrometer. The total cationic yield spectrum was recorded in the photon energy region around the sulfur K edge. The sulfur composition of the highest occupied molecular orbital's and lowest unoccupied molecular orbital's in the DMSO molecule has been obtained using both ab initio and density functional theory methods. Partial cation and anion-yield measurements were obtained in the same energy range. An intense resonance is observed at 2475.4 eV. Sulfur atomic ions present a richer structure around this resonant feature, as compared to other fragment ions. The yield curves are similar for most of the other ionic species, which we interpret as due to cascade Auger processes leading to multiply charged species which then undergo Coulomb explosion. The anions S-, C-, and O- are observed for the first time in deep-core-level excitation of DMSO. (C) 2014 AIP Publishing LLC.

引用

页数：8

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