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77. Millar AJ, Doonan CJ, Laughlin LJ, Tiekink ERT, Young CG (2002) Atom transfer chemistry and electrochemical behavior of Mo(VI) and Mo(V) trispyrazolylborate complexes: new
mononuclear and dinuclear species. Inorg Chim Acta 337:393–406. https://doi.org/10.1016/
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78. Roma´ nczyk PP, Noga K, Rado´ n M, Rotko G, Kurek SS (2013) On the role of noncovalent
interactions in electrocatalysis. Two cases of mediated reductive dehalogenation. Electrochim
Acta 110:619–627. https://doi.org/10.1016/j.electacta.2013.05.006
79. Liao RZ, Chen SL, Siegbahn PEM (2015) Which oxidation state initiates dehalogenation in
the B12-dependent enzyme NpRdhA: Co II , Co I , or Co 0 ? ACS Catal 5:7350–7358. https://doi.
org/10.1021/acscatal.5b01502
80. Szatkowski L, Hall MB (2016) Dehalogenation of chloroalkanes by nickel(I) porphyrin
derivatives, a computational study. Dalton Trans 45:16869–16877. https://doi.org/10.1039/
C6DT02632J
81. Li XX, Zheng QC, Wang Y, Zhang HX (2014) Theoretical insights into the reductive
metabolism of CCl 4 by cytochrome P450 enzymes and the CCl 4 -dependent suicidal inactivation of P450. Dalton Trans 43:14833–14840. https://doi.org/10.1039/C4DT02065K
82. Grimme S, Antony J, Ehrlich S, Krieg H (2010) A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. J Chem
Phys 132:154104. https://doi.org/10.1063/1.3382344
83. Ribeiro RF, Marenich AV, Cramer CJ, Truhlar DG (2011) Use of solution-phase vibrational frequencies in continuum models for the free energy of solvation. J Phys Chem B
115:14556–14562. https://doi.org/10.1021/jp205508z
P. P. Roma´ nczyk and S. S. Kurek
73. Bechlars B, D’Alessandro DM, Jenkins DM, Iavarone AT, Glover SD, Kubiak CP, Long
JR (2010) High-spin ground states via electron delocalization in mixed-valence imidazolatebridged divanadium complexes. Nat Chem 2:362–368. https://doi.org/10.1038/nchem.585
74. Ferguson G, Glidewell C, Opromolla G, Zakaria CM, Zanello P (1996) The redox behaviour
of some bis-ferrocenyl compounds: crystal and molecular structures of diferrocenylmethane
and diferrocenylmethanol. J Organomet Chem 517:183–190. https://doi.org/10.1016/0022328X(96)06199-2
75. Noga K, Roma´ nczyk PP, Włodarczyk AJ, Broclawik E (2008) Theoretical modeling of electrochemical interactions in bimetallic molybdenum nitrosyl complexes incorporating saturated
bridges. Polyhedron 27:2819–2824. https://doi.org/10.1016/j.poly.2008.06.019
76. Wlodarczyk A, Coles SJ, Hursthouse MB, Abdul KM, Lieberman HF (1997) Symmetricallyand asymmetrically-substituted oxo-bridged binuclear molybdenum nitrosyls: synthetic, electrochemical, spectroscopic and structural studies. J Chem Soc Dalton Trans 1997:2921–2930.
https://doi.org/10.1039/A704179I
77. Millar AJ, Doonan CJ, Laughlin LJ, Tiekink ERT, Young CG (2002) Atom transfer chemistry and electrochemical behavior of Mo(VI) and Mo(V) trispyrazolylborate complexes: new
mononuclear and dinuclear species. Inorg Chim Acta 337:393–406. https://doi.org/10.1016/
S0020-1693(02)01105-2
78. Roma´ nczyk PP, Noga K, Rado´ n M, Rotko G, Kurek SS (2013) On the role of noncovalent
interactions in electrocatalysis. Two cases of mediated reductive dehalogenation. Electrochim
Acta 110:619–627. https://doi.org/10.1016/j.electacta.2013.05.006
79. Liao RZ, Chen SL, Siegbahn PEM (2015) Which oxidation state initiates dehalogenation in
the B12-dependent enzyme NpRdhA: Co II , Co I , or Co 0 ? ACS Catal 5:7350–7358. https://doi.
org/10.1021/acscatal.5b01502
80. Szatkowski L, Hall MB (2016) Dehalogenation of chloroalkanes by nickel(I) porphyrin
derivatives, a computational study. Dalton Trans 45:16869–16877. https://doi.org/10.1039/
C6DT02632J
81. Li XX, Zheng QC, Wang Y, Zhang HX (2014) Theoretical insights into the reductive
metabolism of CCl 4 by cytochrome P450 enzymes and the CCl 4 -dependent suicidal inactivation of P450. Dalton Trans 43:14833–14840. https://doi.org/10.1039/C4DT02065K
82. Grimme S, Antony J, Ehrlich S, Krieg H (2010) A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. J Chem
Phys 132:154104. https://doi.org/10.1063/1.3382344
83. Ribeiro RF, Marenich AV, Cramer CJ, Truhlar DG (2011) Use of solution-phase vibrational frequencies in continuum models for the free energy of solvation. J Phys Chem B
115:14556–14562. https://doi.org/10.1021/jp205508z