The interpretation of sulfur K-edge XANES spectra: A case study on thiophenic and aliphatic sulfur compounds

Journal of Physical Chemistry A

Volumn 113, Issue 12, 2009, Pages 2750-2756

  Mijovilovich, A ^a   Pettersson, L G M ^b   Mangold, S ^c   Janousch, M ^d   Susini, J ^e   Salome, M ^e   De Groot, F M F ^a   Weckhuysen, B M ^a  

^a UTRECHT UNIVERSITY   (Netherlands)

^b STOCKHOLM UNIVERSITY   (Sweden)

^c KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

^d PAUL SCHERRER INSTITUTE   (Switzerland)

^e EUROPEAN SYNCHROTRON RADIATION FACILITY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY-FUNCTIONAL THEORIES; DIBENZOTHIOPHENE; DIPOLE TRANSITIONS; DL METHIONINES; EDGE REGIONS; FIRST EXCITED STATE; GAUSSIAN FUNCTIONS; GEOMETRIC STRUCTURES; MODEL COMPOUNDS; MOLECULAR LEVELS; SULFUR K EDGES; THEORETICAL RESULTS; WHITE LINES; XANES SPECTRUM;

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; MOLECULAR ORBITALS; SULFUR COMPOUNDS; TRANSITION METALS; X RAY ANALYSIS;

SULFUR;

DIBENZOTHIOPHENE; DIBENZOTHIOPHENE 5 OXIDE; DIBENZOTHIOPHENE 5-OXIDE; METHIONINE; SULFUR DERIVATIVE; THIOPHENE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; SPECTROSCOPY; X RAY;

METHIONINE; MODELS, MOLECULAR; SPECTRUM ANALYSIS; SULFUR COMPOUNDS; THIOPHENES; X-RAYS;

EID: 63849237856     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp806823c     Document Type: Article

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