X-ray
Spectroscopy
A Critical Look at the Past Accomplishments and Future Prospects
A course presented at the Harbin Institute of Technology,
December 2013
Lecture overheads
Suggested reading - general background on x-ray absorption
Scott, Methods Enzymol.
(pdf)
Levina et al., Coord.
Chem. Rev. (pdf) - discussion of multiple scattering
Penner-Hahn, Comprehensive Coordination Chemistry 2
(pdf)
Penner-Hahn, Spectroscopically Silent Metals
(pdf)
Other useful sites for background information
CSRRI
Periodic table-based x-ray
absorption coefficients
NIST site
on x-ray absorption
Attwood
lectures on soft x-rays
References focused on data collection
Ascone et al. discussion of exptl conditions for
biological EXAFS (JSR)
NSLS 2002 Workshop on
EXAFS data collection and analysis (esp. presentation by Scarrow)
NSLS 2003 Workshop
(presentation by Calvin - focuses on materials rather than biological samples)
and, if you'd like even more detail, see Tutorials by Grant
Bunker
Discussion of
surface sensitivity in XAS (Stohr)
References on data analysis
Web sites
Bruce
Ravel's notes on using FEFFIT for data analysis
Daresbury Laboratory lectures on
data analysis (EXCURV98)
Grant Bunker's XAFS
tutorials
Chantler (Uni.
Melbourne) on the absolute
determination of x-ray absorption
Literature
Zn data analysis protocol (Clark-Baldwin
et al., JACS)
Multiple minima in Pd allyls
(Clot et al., JACS)
XANES normalization (Weng et al., JSR)
Vanadium speciation -
one of the first applications of PCA (Coulston et al., Science)
More general discussion of PCA method (Wasserman et
al., JSR)
Frenkel et al on
comparison of PCA with other methods
References on Near Edge Structure
Multiplet effects in
XANES (DeGroot, CCR)
Ligand K-edge XANES
(Solomon et al., CCR)
Determination of Cu oxidation
state (Kau et al., JACS)
Example of linear multiple
scattering (George, Cummins and co-workers, JACS)
Examples of characteristic
sulfur XANES (George and Gorbaty, JACS)
MXAN calculations for
hexacyanoferrates (Benfatto, JACS)
MXAN methodology
(Benfatto, JSR)
FEFF methodology (Rehr, CCR)
Other background reading (for the truly dedicated)
Dependence of electron
mean-free-path on energy (Penn, PRB)
Angular dependence of
scattering factors (Barton and Shirley, PRB)
References on Imaging
Comparison of
different microprobes (Cholewa, NIM-B)
Chromate uptake by living
cells (Hughes, JBIC)
Elemental microenvironments in macrophages (Wagner, J.
Immunol.)
Se XANES mapping (Pickering,
PNAS)
Time resolved XAS
Rapid (conventional) XAS of Au
cluster formation, (JPC)
Piezo
QEXAFS methodology, (JSR)
QEXAFS of Ce reduction (J.
Chem. Phys)
Dispersive XAS overview - strengths and
limitations (J. Synchr. Rad)
Dispersive XAS of Pd/C electrodes
(PCCP)
Dispersive EXAFS of Rh(I) catalysts,
(JCP)
Rapid freeze quench studies of
alcohol dehydogenase (NSB)
Related/advanced techniques
Ultrafast
spectroscopy of Ru(bpy)3 (Saes, PRL)
Other
ultrafast XAS studies (Chen, Ann. Rev. Phys. Chem.)
Multiple excitations in
Cs(g) and Xe(g)
Multiple
excitations in other samples
DAFS (in Resonant Anomalous
X-Ray Scattering: Theory and Applications)
Site-selective DAFS
of nanocrystalline Ge
Review of X-ray MCD (CCR)
X-ray MCD of plastocyanin (J.
Phys. Chem.)
X-ray Natural CD
High-resolution x-ray
emission (Bergmann and Glatzel, CCR)
Spin-selective XAS using
inelastic scattering (PRB)
RIXS studies of Fe XANES
High-resolution XES - edge
sharpening (Rev. Sci. Instrum.)
Site selective EXAFS of Prussian
Blue
Data analysis software
ESRF
Software catalog
XFIT
EXAFSPAK
Athena and Artemis
FEFFIT and IFEFFIT
DL EXCURV
WinXAS
Information needed for proposal preparation
SSRL Proposal Submission guidelines
SSRL
Proposal form (rtf)