X-ray absorption spectroscopic and computational investigation of a possible S⋯S interaction in the [Cu 3S 2] 3+ core

Journal of the American Chemical Society

Volumn 133, Issue 43, 2011, Pages 17180-17191

  Sarangi, Ritimukta ^a   Yang, Lei ^b   Winikoff, Stuart G ^b   Gagliardi, Laura ^b   Cramer, Christopher J ^b   Tolman, William B ^b   Solomon, Edward I ^a,c  

^a SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

^b University of Minnesota   (United States)

^c STANFORD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BONDING INTERACTIONS; COMPUTATIONAL INVESTIGATION; COPPER CENTERS; CYCLOHEXANEDIAMINE; DENSITY FUNCTIONALS; MULTI REFERENCE; ORBITALS; RADIAL DISTRIBUTION FUNCTIONS; SECOND ORDERS;

ABSORPTION; DENSITY FUNCTIONAL THEORY; DISTRIBUTION FUNCTIONS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; PERTURBATION TECHNIQUES; X RAY ABSORPTION; X RAY ABSORPTION SPECTROSCOPY;

ABSORPTION SPECTROSCOPY;

COPPER COMPLEX; COPPER ION; COPPER SULFIDE; SULFUR; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL BINDING; COVALENT BOND; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; DENSITY FUNCTIONAL THEORY; ELECTRON; MOLECULAR INTERACTION; OXIDATION; STRUCTURE ANALYSIS; X RAY ABSORPTION SPECTROSCOPY;

COPPER; ORGANOMETALLIC COMPOUNDS; QUANTUM THEORY; SULFUR; X-RAY ABSORPTION SPECTROSCOPY;

EID: 80055000217     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja111323m     Document Type: Article

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