Computational Versus Experimental Spectroscopy …
179
together with vibrational and paramagnetic spectroscopy bring forward new insights
into how this behavior can be further tuned and extended. Indeed, transition-metal
chemistry is promising to remain an interesting playground for understanding the
key processes in life.
7 Further Reading
Spin states in biochemistry and inorganic chemistry: Influence on structure and
reactivity, M. Swart, M. Costas (Eds.); Wiley UK, 2015
Physical methods in bioinorganic chemistry, L. Que Jr. (Ed.); University Science
Books, 2000
Practical approaches to biological inorganic chemistry, R. Crichton, R. Louro
(Eds.); Elsevier, 2013
Acknowledgements The COST association action CM1305 ECOSTBio (STSM grant 34080),
the European Research Council (ERC 279549, WRB), the labex arcane (ANR-11-LABX003), MINECO (CTQ2014-59212-P, CTQ2015-70851-ERC, CTQ2017-87392-P, MS), GenCat
(2014SGR1202, MS), FEDER (UNGI10-4E-801, MS), and the Serbian Ministry of Science (Grant
No. 172035) are acknowledged for financial support.
References
1. Swart M, Costas M (eds) (2015) Spin states in biochemistry and inorganic chemistry: influence
on structure and reactivity. Wiley, Oxford. https://doi.org/10.1002/9781118898277
2. Que Jr L (2000) Physical methods in bioinorganic chemistry. University Science Books
3. Crichton R, Louro R (2013) Practical approaches to biological inorganic chemistry. Elsevier
4. Ray K, Duboc C (2018) ECOSTBio: explicit control over spin states in technology and biochemistry. Chem Eur J 24:5003–5005. https://doi.org/10.1002/chem.201801041
5. Bergeler M, Stiebritz MT, Reiher M (2013) Structure–property relationships of Fe 4 S 4 clusters.
ChemPlusChem 78:1082–1098
6. Carvalho ATP, Swart M (2014) Electronic structure investigation and parameterization of biologically relevant iron-sulfur clusters. J Chem Inf Model 54:613–620
7. Sharma S, Sivalingam K, Neese F, Chan GK-L (2014) Low-energy spectrum of iron–sulfur
clusters directly from many-particle quantum mechanics. Nat Chem 6:927–933. https://doi.
org/10.1038/nchem.2041
8. Kim J, Rees DC (1992) Structural models for the metal centers in the nitrogenase molybdenumiron protein. Science 257:1677–1682. https://doi.org/10.1126/science.1529354
9. Einsle O, Tezcan FA, Andrade SLA, Schmid B, Yoshida M, Howard JB, Rees DC (2002)
Nitrogenase MoFe-protein at 1.16 Å resolution: a central ligand in the FeMo-cofactor. Science
297:1696–1700. https://doi.org/10.1126/science.1073877
10. Ramaswamy S (2011) One atom makes all the difference. Science 334:914–915. https://doi.
org/10.1126/science.1215283
11. Spatzal T et al (2011) Evidence for interstitial carbon in nitrogenase FeMo cofactor. Science
334:940–940. https://doi.org/10.1126/science.1214025
179
together with vibrational and paramagnetic spectroscopy bring forward new insights
into how this behavior can be further tuned and extended. Indeed, transition-metal
chemistry is promising to remain an interesting playground for understanding the
key processes in life.
7 Further Reading
Spin states in biochemistry and inorganic chemistry: Influence on structure and
reactivity, M. Swart, M. Costas (Eds.); Wiley UK, 2015
Physical methods in bioinorganic chemistry, L. Que Jr. (Ed.); University Science
Books, 2000
Practical approaches to biological inorganic chemistry, R. Crichton, R. Louro
(Eds.); Elsevier, 2013
Acknowledgements The COST association action CM1305 ECOSTBio (STSM grant 34080),
the European Research Council (ERC 279549, WRB), the labex arcane (ANR-11-LABX003), MINECO (CTQ2014-59212-P, CTQ2015-70851-ERC, CTQ2017-87392-P, MS), GenCat
(2014SGR1202, MS), FEDER (UNGI10-4E-801, MS), and the Serbian Ministry of Science (Grant
No. 172035) are acknowledged for financial support.
References
1. Swart M, Costas M (eds) (2015) Spin states in biochemistry and inorganic chemistry: influence
on structure and reactivity. Wiley, Oxford. https://doi.org/10.1002/9781118898277
2. Que Jr L (2000) Physical methods in bioinorganic chemistry. University Science Books
3. Crichton R, Louro R (2013) Practical approaches to biological inorganic chemistry. Elsevier
4. Ray K, Duboc C (2018) ECOSTBio: explicit control over spin states in technology and biochemistry. Chem Eur J 24:5003–5005. https://doi.org/10.1002/chem.201801041
5. Bergeler M, Stiebritz MT, Reiher M (2013) Structure–property relationships of Fe 4 S 4 clusters.
ChemPlusChem 78:1082–1098
6. Carvalho ATP, Swart M (2014) Electronic structure investigation and parameterization of biologically relevant iron-sulfur clusters. J Chem Inf Model 54:613–620
7. Sharma S, Sivalingam K, Neese F, Chan GK-L (2014) Low-energy spectrum of iron–sulfur
clusters directly from many-particle quantum mechanics. Nat Chem 6:927–933. https://doi.
org/10.1038/nchem.2041
8. Kim J, Rees DC (1992) Structural models for the metal centers in the nitrogenase molybdenumiron protein. Science 257:1677–1682. https://doi.org/10.1126/science.1529354
9. Einsle O, Tezcan FA, Andrade SLA, Schmid B, Yoshida M, Howard JB, Rees DC (2002)
Nitrogenase MoFe-protein at 1.16 Å resolution: a central ligand in the FeMo-cofactor. Science
297:1696–1700. https://doi.org/10.1126/science.1073877
10. Ramaswamy S (2011) One atom makes all the difference. Science 334:914–915. https://doi.
org/10.1126/science.1215283
11. Spatzal T et al (2011) Evidence for interstitial carbon in nitrogenase FeMo cofactor. Science
334:940–940. https://doi.org/10.1126/science.1214025