Acknowledgments MINECO (CTQ2014-59212-P, CTQ2017-87392-P), FEDER (UNGI10-4E801), and the COST Association (CM1305, ECOSTBio) are gratefully thanked for financial
support, and CSUC is thanked for extensive computer time.
References
1. Swart M, Costas M (2015) Spin states in biochemistry and inorganic chemistry: influence on
structure and reactivity. Wiley, Oxford. https://doi.org/10.1002/9781118898277
2. Schröder D, Shaik S, Schwarz H (2000) Two-state reactivity as a new concept in organometallic chemistry. Acc Chem Res 33(3):139–145
3. Shaik S, Chen H, Janardanan D (2011) Exchange-enhanced reactivity in bond activation by
metal–oxo enzymes and synthetic reagents. Nature Chem 3:19–27. https://doi.org/10.1038/
nchem.943
4. Klein JEMN, Que Jr L (2016) Biomimetic high-valent mononuclear nonheme iron-oxo
chemistry. Enc Inorg Bioinorg Chem 2016:1–22. https://doi.org/10.1002/9781119951438.
eibc2344
5. McDonald AR, Que Jr L (2013) High-valent nonheme iron-oxo complexes: synthesis, structure, and spectroscopy. Coord Chem Rev 257:414–428. https://doi.org/10.1016/j.ccr.2012.08.
002
6. Costas M, Mehn MP, Jensen MP, Que Jr L (2004) Dioxygen activation at mononuclear
nonheme iron active sites: enzymes, models, and intermediates. Chem Rev 104:939–986
7. Bruijnincx PC, van Koten G, Klein Gebbink RJ (2008) Mononuclear non-heme iron enzymes
with the 2-His-1-carboxylate facial triad: recent developments in enzymology and modeling
studies. Chem Soc Rev 37(12):2716–2744. https://doi.org/10.1039/b707179p
8. Ray K, Pfaff FF, Wang B, Nam W (2014) Status of reactive non-heme metalÀoxygen
intermediates in chemical and enzymatic reactions. J Am Chem Soc 136:13942–13958.
https://doi.org/10.1021/ja507807v
9. Cramer CJ, Tolman WB, Theopold KH, Rheingold AL (2003) Variable character of O-O and
M-O bonding in side-on (η2) 1: 1 metal complexes of O2. Proc Natl Acad Sci U S A
100:3635–3640
10. Stepanovic S, Andjelkovic L, Zlatar M, Andjelkovic K, Gruden-Pavlovic M, Swart M (2013)
Role of spin state and ligand charge in coordination patterns in complexes of
2,6-diacetylpyridinebis(semioxamazide) with 3d-block metal ions: a density functional theory
study. Inorg Chem 52(23):13415–13423. https://doi.org/10.1021/ic401752n
11. Johansson MP, Swart M (2011) Subtle effects control the polymerisation mechanism in
α-diimine iron catalysts. Dalton Trans 40:8419–8428
12. Que Jr L (2000) Physical methods in bioinorganic chemistry: spectroscopy and magnetism.
University Science Books, Sausalito
13. Crichton RR, Louro RO (2013) Practical approaches to biological inorganic chemistry.
Elsevier, Amsterdam
14. Duboc C, Gennari M (2015) Experimental techniques for determining spin states. In: Swart M,
Costas M (eds) Spin states in biochemistry and inorganic chemistry: influence on structure and
reactivity, pp 59–83
15. Bernath PF (2016) Spectra of atoms and molecules (third edition). Oxford University Press,
Oxford
16. Bren KL, Esisenberg R, Gray HB (2015) Discovery of the magnetic behavior of hemoglobin: a
beginning of bioinorganic chemistry. Proc Natl Acad Sci U S A 112:13123–13127. https://doi.
org/10.1073/pnas.1515704112
17. Fraústo do Silva JJR, Williams RJP (1991) The biological chemistry of the elements. The
inorganic chemistry of life. Paperback edn. Oxford University Press, Oxford
216
M. Swart
support, and CSUC is thanked for extensive computer time.
References
1. Swart M, Costas M (2015) Spin states in biochemistry and inorganic chemistry: influence on
structure and reactivity. Wiley, Oxford. https://doi.org/10.1002/9781118898277
2. Schröder D, Shaik S, Schwarz H (2000) Two-state reactivity as a new concept in organometallic chemistry. Acc Chem Res 33(3):139–145
3. Shaik S, Chen H, Janardanan D (2011) Exchange-enhanced reactivity in bond activation by
metal–oxo enzymes and synthetic reagents. Nature Chem 3:19–27. https://doi.org/10.1038/
nchem.943
4. Klein JEMN, Que Jr L (2016) Biomimetic high-valent mononuclear nonheme iron-oxo
chemistry. Enc Inorg Bioinorg Chem 2016:1–22. https://doi.org/10.1002/9781119951438.
eibc2344
5. McDonald AR, Que Jr L (2013) High-valent nonheme iron-oxo complexes: synthesis, structure, and spectroscopy. Coord Chem Rev 257:414–428. https://doi.org/10.1016/j.ccr.2012.08.
002
6. Costas M, Mehn MP, Jensen MP, Que Jr L (2004) Dioxygen activation at mononuclear
nonheme iron active sites: enzymes, models, and intermediates. Chem Rev 104:939–986
7. Bruijnincx PC, van Koten G, Klein Gebbink RJ (2008) Mononuclear non-heme iron enzymes
with the 2-His-1-carboxylate facial triad: recent developments in enzymology and modeling
studies. Chem Soc Rev 37(12):2716–2744. https://doi.org/10.1039/b707179p
8. Ray K, Pfaff FF, Wang B, Nam W (2014) Status of reactive non-heme metalÀoxygen
intermediates in chemical and enzymatic reactions. J Am Chem Soc 136:13942–13958.
https://doi.org/10.1021/ja507807v
9. Cramer CJ, Tolman WB, Theopold KH, Rheingold AL (2003) Variable character of O-O and
M-O bonding in side-on (η2) 1: 1 metal complexes of O2. Proc Natl Acad Sci U S A
100:3635–3640
10. Stepanovic S, Andjelkovic L, Zlatar M, Andjelkovic K, Gruden-Pavlovic M, Swart M (2013)
Role of spin state and ligand charge in coordination patterns in complexes of
2,6-diacetylpyridinebis(semioxamazide) with 3d-block metal ions: a density functional theory
study. Inorg Chem 52(23):13415–13423. https://doi.org/10.1021/ic401752n
11. Johansson MP, Swart M (2011) Subtle effects control the polymerisation mechanism in
α-diimine iron catalysts. Dalton Trans 40:8419–8428
12. Que Jr L (2000) Physical methods in bioinorganic chemistry: spectroscopy and magnetism.
University Science Books, Sausalito
13. Crichton RR, Louro RO (2013) Practical approaches to biological inorganic chemistry.
Elsevier, Amsterdam
14. Duboc C, Gennari M (2015) Experimental techniques for determining spin states. In: Swart M,
Costas M (eds) Spin states in biochemistry and inorganic chemistry: influence on structure and
reactivity, pp 59–83
15. Bernath PF (2016) Spectra of atoms and molecules (third edition). Oxford University Press,
Oxford
16. Bren KL, Esisenberg R, Gray HB (2015) Discovery of the magnetic behavior of hemoglobin: a
beginning of bioinorganic chemistry. Proc Natl Acad Sci U S A 112:13123–13127. https://doi.
org/10.1073/pnas.1515704112
17. Fraústo do Silva JJR, Williams RJP (1991) The biological chemistry of the elements. The
inorganic chemistry of life. Paperback edn. Oxford University Press, Oxford
216
M. Swart