EXAFS and near edge structure : proceedings of the international conference, Frascati, Italy, September 13-17, 1982

The field of X-ray spectroscopy using synchrotron radiation is growing so rapidly and expanding into such different research areas that it is now diffi­ cult to keep up with the literature. EXAFS and XANES are becoming interdis­ ciplinary methods used in solid-state physics, biology, and chemistry, and are making impressive contributions to these branches of science. The present book gives a panorama of the research activity in this field. It contains the papers presented at the International Conference on EXAFS and Near Edge Structure held in Frascati, Italy, September 13-17, 1982. This was the first international conference devoted to EXAFS spectroscopy (Extended X-ray Ab­ sorption Fine Structure) and its applications. The other topic of the con­ ference was the new XANES (X-ray Absorption Near Edge Structure), which in of experimental and theoretical developments finally appears to have terms left its infancy. The applications of EXAFS concern the determination of local structures in complex systems; we have therefore divided the subject matter into differ­ ent parts on various types of materials: amorphous metals, glasses, solu­ tions, biological systems, catalysts, and special crystals such as mixed valence systems and ionic conductors. EXAFS provides unique information for each kind of system, but the analysis of EXAFS data also poses special prob­ lems in each case. General problems of EXAFS data analysis are discussed, as well as developments in instrumentation for X-ray absorption using syn­ chrotron radiation and laboratory EXAFS. Front Matter....Pages I-XII Introduction. Historical Perspective of EXAFS and Near Edge Structure Spectroscopy....Pages 1-2 Front Matter....Pages 3-3 The Transition Region Between XANES and EXAFS....Pages 4-10 Bond Angle Determination by EXAFS: A New Dimension....Pages 11-21 Role of Inelastic Effects in EXAFS....Pages 22-28 Relaxation Effects in Inner-Shell Photoemission and Absorption....Pages 29-36 Multiple Scattering Calculations of XANES....Pages 37-42 Near Edge Absorption Structure in the Framework of the Multiple Scattering Model. Potential Resonance or Barrier Effects?....Pages 43-56 Bond Length Determination Using XANES....Pages 57-61 Double Ionization in Inner Shells....Pages 62-64 Front Matter....Pages 65-65 The Reliability of ab initio Calculations in Extracting Structural Information from EXAFS....Pages 66-72 EXAFS Analysis in Anisotropic Systems....Pages 73-79 EXAFS in Metallurgy....Pages 80-86 The Effect of the Noise on the Structural Parameters Deduced by EXAFS....Pages 87-90 Debye-Waller Factors in R -Space Analysis....Pages 91-95 Thickness Effects on the Determination of EXAFS Amplitudes....Pages 96-97 Thickness Effects in X-Ray Absorption Measurements....Pages 98-99 Interference and Multiple Scattering Effects in Porphyrinic Complexes....Pages 100-102 Multiple Scattering Effects in the EXAFS of Fe and TiFe....Pages 103-106 A Model Comparision Between EXAFS and X-Ray Scattering....Pages 107-109 EXAFS Database and Program Library....Pages 110-111 Front Matter....Pages 65-65 Regular Methods in Real-Space Analysis of EXAFS....Pages 112-113 Regular Methods of Solving Inverse Problems in Spectroscopy....Pages 114-115 Front Matter....Pages 117-117 XANES Spectroscopy for Local Structures in Complex Systems....Pages 118-129 Experimental and Theoretical XANES Studies of Selected Vanadium Compounds....Pages 130-134 X-Ray Absorption of Crystalline Titanium Compounds: Evidence of Electronic Relaxation Effects....Pages 135-140 Application of XANES to the Study of AsF 5 -Graphite Intercalation Compounds....Pages 141-143 XANES of 3 d Elements: Effects of Local Symmetry Evidenced Using High-Resolution Spectra....Pages 144-146 The Adsorption of Oxygen on Nickel (001) Studied by XANES....Pages 147-150 Near Edge Structure in Cerium and Cerium Compounds....Pages 151-153 XANES at High-Pressure Phase Transitions....Pages 154-156 Near Edge and EXAFS Studies of Amorphous Pd-Ge and Ni-Zr Alloys....Pages 157-161 XANES Determination of V-Mixed Valence State in (V 2 O 5 ) x (P 2 O 5 ) 100−x Binary Oxide Glasses....Pages 162-164 L Edge Adsorption Systematics of Some Transition-Metal (Pd, Ag), Main-Group-Metal (Sn, In) and Ionic (CsI) Systems....Pages 165-167 X-Ray Absorption Spectra of Ruthenium L Edges in Ru(NH 3 ) 6 Cl 3 ....Pages 168-170 Study of XANES at the K Absorption Edge in Some 3 d Compounds....Pages 171-173 Generalized Oscillator Strength for K-Shell Near Edge Structures in N 2 ....Pages 174-176 High-Resolution Analysis of the L 2,3 White Lines of Pd....Pages 177-179 Front Matter....Pages 181-181 Structural Studies of Superionic Conduction....Pages 182-186 EXAFS and Near Edge Structures in Mixed Valent SM 1−x Y x S and the Energy Threshold Puzzle....Pages 187-189 High-Pressure EXAFS Study on Mixed Valent SmS....Pages 190-192 Front Matter....Pages 181-181 Peculiarities of the EXAFS Spectra of III–VI Layered Compounds....Pages 193-199 EXAFS Studies of Disorder in Crystalline Solids....Pages 200-202 EXAFS Studies of Krypton Atoms in Matrices of Argon and Nitrogen....Pages 203-205 EXAFS and XANES Investigations of Trace V and Ti in Coal....Pages 206-209 Characterization of the Valence States of Iron in Spinels by X-Ray Absorption and Emission Spectroscopy....Pages 210-212 High-Pressure Study of L III Absorption Edges of Rare-Earth Mixed Valence Systems....Pages 213-215 EXAFS of Antimony L III Edge of Ferroelectric SbSI Above the Phase-Transition Temperature....Pages 216-218 Structure of LaNiO 2 by EXAFS and X-Ray Diffraction: Local Environment of Ni +1 ....Pages 219-221 EXAFS Study of the Disorder Effect Induced in Layered MnPS 3 by Intercalation of Cations....Pages 222-223 Structural Properties of Cd 1−x Mn x Te by EXAFS....Pages 224-227 Oxidation States of Nickel in Reduced Phases of LaNiO 3 by XANES and EXAFS....Pages 228-230 Front Matter....Pages 231-231 Application of EXAFS and XANES to Structural Studies of Metallic Glasses....Pages 232-239 EXAFS and X-Ray Diffraction in Solutions....Pages 240-247 Local Order in Oxide Glasses....Pages 248-255 EXAFS and XANES Spectra of Calcium Silicate Glasses....Pages 256-260 EXAFS and XANES Investigation of the Coordination of Technetium in Borosilicate Glass....Pages 261-264 Germanium Environment in Simple and Multi-Component Oxide Glasses....Pages 265-267 Local Structure in Mixed Electrolytes....Pages 268-270 Lattice Relaxation Around a Br − Ion in KCl 1−x Br x ....Pages 271-273 Elastic Core Effect in Isovalent Solid Solutions....Pages 274-276 Front Matter....Pages 231-231 Transition-Metal and Metalloid Contributions to EXAFS in Amorphous Alloys and Crystalline Compounds....Pages 277-279 EXAFS Studies of Glassy Ni 66 B 33 : A Multi-Shell Modeling of the Ni-Ni Distribution....Pages 280-283 EXAFS Study of Co 1−x B x Glasses....Pages 284-289 EXAFS on (AgI) x (Ag 2 O n B 2 O 3 ) 1−x Superionic Glasses....Pages 290-291 Short-Range Order in Fe 78−x Ni x B 18 Mo 4 ( x = 38, 20, 10, 0) Metallic Glasses as Deduced by EXAFS Data....Pages 292-294 Front Matter....Pages 295-295 EXAFS on Catalysis....Pages 296-302 EXAFS Studies of Metal-Ion Exchanged Layer Structures....Pages 303-306 Fluorescence EXAFS of MgCl 2 -Supported Titanium Trichloride....Pages 307-309 An EXAFS Study of a Highly Dispersed Rh/Al 2 O 3 Catalyst....Pages 310-312 EXAFS Investigation of TiO 2 -V 2 O 5 Catalysts....Pages 313-315 Correlation Between Catalytic Activity and EXAFS Studies of “Classical” and “Inorganic-Cluster-Derived” Platinum Catalysts....Pages 316-318 EXAFS Studies of Industrial Pt/Al 2 O 3 Catalysts....Pages 319-320 EXAFS Study of Short-Range Order in Transition Aluminas....Pages 321-324 Zeolite-Supported Rh Catalysts for Methanol Carbonylation: X-Ray Absorption Measurements....Pages 325-327 Front Matter....Pages 329-329 EXAFS of Calcium in Biological Systems....Pages 330-336 EXAFS Studies of Zinc and Copper in Chemical and Biochemical Systems....Pages 337-341 A XANES Study of Co(II) in Cobalt Model Compounds and in Some Cobalt-Substituted Enzyme....Pages 342-344 Mn(II) Binding to Nucleotides and Nucleic Acids....Pages 345-348 On the Investigation by EXAFS Spectroscopy of a Selenocarbonyl Complex (CSe = Fe(II)TPP)....Pages 349-351 X-Ray Iron K Edge of Human Hemoglobins....Pages 352-354 Front Matter....Pages 329-329 XANES of Calmodulin: Differences and Homologies Between Calcium-Modulated Proteins....Pages 355-357 Nickel-Containing Enzyme: Urease....Pages 358-360 Front Matter....Pages 361-361 Anomalous X-Ray Scattering and its Relationship to EXAFS....Pages 362-372 Simultaneous Measurements of the Real and Imaginary Parts of the X-Ray Anomalous Dispersion Using X-Ray Interferometers....Pages 373-375 Interferometric Measurement of Absorption μ( E ) and Dispersion ƒ’ ( E ) at the K Edge of Copper....Pages 376-377 Anomalous Scattering Factors from X-Ray Absorption Data by Kramers-Kronig Analysis....Pages 378-380 Front Matter....Pages 381-381 Extended Energy Loss Fine Structure (EELFS) Technique: Bulk and Surface Investigation....Pages 382-390 Extended Fine Structure in APS....Pages 391-393 Geometrical Structure of Graphitic Carbon on Ni(111) Studied by Extended Energy Loss Fine Structure Spectroscopy (EELFS)....Pages 394-396 Oxygen on Ni(100): A Surface-Extended Energy Loss Fine Structure (SEELFS) Study....Pages 397-399 Front Matter....Pages 401-401 Laboratory EXAFS Systems....Pages 402-404 Time-Resolved EXAFS....Pages 405-408 A Versatile Spectrometer for Laboratory EXAFS Studies....Pages 409-411 A Sample Cell for in situ EXAFS Measurements....Pages 412-414 SSRL Beam Line Wunder....Pages 415-417 Back Matter....Pages 419-422