(b) Using the EXAFS equation, calculate the EXAFS signal at k ¼ 4 Å
À1 and at
k ¼ 12 Å
À1 . You can use any of the published tables (Teo/Lee, McKale etc.)
for phase shifts and amplitudes or do the calculation with FEFF.
(c) If this were a fluorescence measurement, and the noise is just photon statistics, how much longer do you have to count at k ¼ 12 Å
À1 to achieve the same
EXAFS S/N as at 4 Å
À1 ?
4. Mean Free Path. Using the “universal curve,” estimate the amplitude reduction
of the EXAFS due to mean free path effects at k ¼ 4 Å
À1 and at k ¼ 12 Å
À1 .
5. Multiple-Scattering EXAFS. Consider the O contribution to the Fe EXAFS of
an Fe–C–O moiety. Assuming an Fe–C bond length of 1.9 Å and a C–O bond
length of 1.43 Å, calculate the relative importance of single, double, and triple
scattering paths at k ¼ 15.1 Å
À1 , using the scattering amplitudes illustrated in
Fig. 6.16. Assume Fe–CO bond angles of 180
, 165
, or 150
. If you are
ambitious, first calculate more modern scattering amplitudes with FEFF.
6. For a more extended multiple-scattering problem, visit: https://bruceravel.github.
io/demeter/documents/Artemis/examples/fes2.html
6.11 Reference Books and Review Articles
1. X-ray Absorption: Principles, Applications, Techniques of EXAFS, D. C.
Koningsberger and R. Prins eds., Wiley-Interscience, New York 1988, ISBN
0-471-87547-3. Somewhat dated but still useful.
2. Introduction to EXAFS: A Practical Guide to X-ray Absorption Fine Structure
Spectroscopy, Grant Bunker, Cambridge University Press, Cambridge, 2010,
ISBN 978-0-521-76775-0. Very practical guide.
3. XAFS for Everyone, Scott Calvin, CRC Press, Boca Raton, 2013, ISBN 978-14398-78635-7. Loads of practical information. Somewhat quirky style will appeal
to some and not to others.
4. X-ray Absorption and X-ray Emission, J. A. van Bokhoven and C. Lamberti, eds.,
Wiley, Singapore, 2016, ISBN 978-1-118-84423-6. Edited volume covers synchrotron radiation and X-ray spectroscopy.
5. X-ray Studies on Electrochemical Systems, Artur Braun, De Gruyter, Boca Raton,
2013, ISBN 978-3-11-043750-8. X-ray absorption plus many other X-ray
methods. Excellent resource for electrochemistry-related experiments.
6. X-ray Absorption Spectroscopy for the Chemical and Materials Sciences, John
Evans, Wiley, New York, 2018, ISBN 978-1119990901. Another of the growing
number of EXAFS applications books.
7. “A History of X-ray Absorption Fine Structure”, R. Stumm von Bordwehr, Ann.
Phys. Fr. 14, 377-466, 1989. A good historical review of the early development
of EXAFS theory.
6.11 Reference Books and Review Articles
163
À1 and at
k ¼ 12 Å
À1 . You can use any of the published tables (Teo/Lee, McKale etc.)
for phase shifts and amplitudes or do the calculation with FEFF.
(c) If this were a fluorescence measurement, and the noise is just photon statistics, how much longer do you have to count at k ¼ 12 Å
À1 to achieve the same
EXAFS S/N as at 4 Å
À1 ?
4. Mean Free Path. Using the “universal curve,” estimate the amplitude reduction
of the EXAFS due to mean free path effects at k ¼ 4 Å
À1 and at k ¼ 12 Å
À1 .
5. Multiple-Scattering EXAFS. Consider the O contribution to the Fe EXAFS of
an Fe–C–O moiety. Assuming an Fe–C bond length of 1.9 Å and a C–O bond
length of 1.43 Å, calculate the relative importance of single, double, and triple
scattering paths at k ¼ 15.1 Å
À1 , using the scattering amplitudes illustrated in
Fig. 6.16. Assume Fe–CO bond angles of 180
, 165
, or 150
. If you are
ambitious, first calculate more modern scattering amplitudes with FEFF.
6. For a more extended multiple-scattering problem, visit: https://bruceravel.github.
io/demeter/documents/Artemis/examples/fes2.html
6.11 Reference Books and Review Articles
1. X-ray Absorption: Principles, Applications, Techniques of EXAFS, D. C.
Koningsberger and R. Prins eds., Wiley-Interscience, New York 1988, ISBN
0-471-87547-3. Somewhat dated but still useful.
2. Introduction to EXAFS: A Practical Guide to X-ray Absorption Fine Structure
Spectroscopy, Grant Bunker, Cambridge University Press, Cambridge, 2010,
ISBN 978-0-521-76775-0. Very practical guide.
3. XAFS for Everyone, Scott Calvin, CRC Press, Boca Raton, 2013, ISBN 978-14398-78635-7. Loads of practical information. Somewhat quirky style will appeal
to some and not to others.
4. X-ray Absorption and X-ray Emission, J. A. van Bokhoven and C. Lamberti, eds.,
Wiley, Singapore, 2016, ISBN 978-1-118-84423-6. Edited volume covers synchrotron radiation and X-ray spectroscopy.
5. X-ray Studies on Electrochemical Systems, Artur Braun, De Gruyter, Boca Raton,
2013, ISBN 978-3-11-043750-8. X-ray absorption plus many other X-ray
methods. Excellent resource for electrochemistry-related experiments.
6. X-ray Absorption Spectroscopy for the Chemical and Materials Sciences, John
Evans, Wiley, New York, 2018, ISBN 978-1119990901. Another of the growing
number of EXAFS applications books.
7. “A History of X-ray Absorption Fine Structure”, R. Stumm von Bordwehr, Ann.
Phys. Fr. 14, 377-466, 1989. A good historical review of the early development
of EXAFS theory.
6.11 Reference Books and Review Articles
163