-
2
-
-
0033807920
-
-
Darensbourg, M. Y.; Lyon, E. J.; Smee, J. J. Coord. Chem. Rev. 2000, 206, 533.
-
(2000)
Coord. Chem. Rev.
, vol.206
, pp. 533
-
-
Darensbourg, M.Y.1
Lyon, E.J.2
Smee, J.J.3
-
3
-
-
1542378704
-
-
(a) Costas, M.; Mehn, M. P.; Jensen, M. P.; Que, L. Chem. Rev. 2004, 104, 939.
-
(2004)
Chem. Rev.
, vol.104
, pp. 939
-
-
Costas, M.1
Mehn, M.P.2
Jensen, M.P.3
Que, L.4
-
4
-
-
0035800409
-
-
(b) Merkx, M.; Kopp, D. A.; Sazinsky, M. H.; Blazyk, J. L.; Müller, J.; Lippard, S. J. Angew. Chem., Int. Ed. 2001, 40, 2782.
-
(2001)
Angew. Chem., Int. Ed.
, vol.40
, pp. 2782
-
-
Merkx, M.1
Kopp, D.A.2
Sazinsky, M.H.3
Blazyk, J.L.4
Müller, J.5
Lippard, S.J.6
-
7
-
-
0038747011
-
-
(e) Price, J. C.; Barr, E. W.; Tirupati, B.; Bollinger, J. M.; Krebs, C. Biochemistry 2003, 42, 7497.
-
(2003)
Biochemistry
, vol.42
, pp. 7497
-
-
Price, J.C.1
Barr, E.W.2
Tirupati, B.3
Bollinger, J.M.4
Krebs, C.5
-
9
-
-
0001721192
-
-
(b) Scheidt, W. R.; Osvath, S. R.; Lee, Y. J.; Reed, C. A.; Shaevitz, B.; Gupta, G. P. Inorg. Chem. 1989, 28, 1591.
-
(1989)
Inorg. Chem.
, vol.28
, pp. 1591
-
-
Scheidt, W.R.1
Osvath, S.R.2
Lee, Y.J.3
Reed, C.A.4
Shaevitz, B.5
Gupta, G.P.6
-
13
-
-
0034645324
-
-
Grapperhaus, C. A.; Mienert, B.; Bill, E.; Weyhermüller, T.; Wieghardt, K. Inorg. Chem. 2000, 39, 5306.
-
(2000)
Inorg. Chem.
, vol.39
, pp. 5306
-
-
Grapperhaus, C.A.1
Mienert, B.2
Bill, E.3
Weyhermüller, T.4
Wieghardt, K.5
-
14
-
-
1942456778
-
-
García-Serres, R.; Grapperhaus, C. A.; Bothe, E.; Bill, E.; Weyhermüller, T.; Neese, F.; Wieghardt, K. J. Am. Chem. Soc. 2004, 126, 5138.
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 5138
-
-
García-Serres, R.1
Grapperhaus, C.A.2
Bothe, E.3
Bill, E.4
Weyhermüller, T.5
Neese, F.6
Wieghardt, K.7
-
15
-
-
18844417470
-
-
Aliaga-Alcalde, M.; George, S. D.; Mienert, B.; Bill, E.; Wieghardt, K.; Neese, F. Angew. Chem., Int. Ed. 2005, 44, 2908.
-
(2005)
Angew. Chem., Int. Ed.
, vol.44
, pp. 2908
-
-
Aliaga-Alcalde, M.1
George, S.D.2
Mienert, B.3
Bill, E.4
Wieghardt, K.5
Neese, F.6
-
16
-
-
0037436143
-
-
Rohde, J. U.; In, J. H.; Lim, M. H.; Brennessel, W. W.; Bukowski, M. R.; Stubna, A.; Münck, E.; Nam, W.; Que, L. Science 2003, 299, 1037.
-
(2003)
Science
, vol.299
, pp. 1037
-
-
Rohde, J.U.1
In, J.H.2
Lim, M.H.3
Brennessel, W.W.4
Bukowski, M.R.5
Stubna, A.6
Münck, E.7
Nam, W.8
Que, L.9
-
17
-
-
23944520862
-
-
Berry, J. F.; Bill, E.; Bothe, E.; Weyhermüller, T.; Wieghardt, K. J. Am. Chem. Soc. 2005, 127, 11550.
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 11550
-
-
Berry, J.F.1
Bill, E.2
Bothe, E.3
Weyhermüller, T.4
Wieghardt, K.5
-
21
-
-
0001002902
-
-
(b) Matsumoto, K.; Sano, Y.; Kawano, M.; Uemura, H.; Matsunami, J.; Sato, T. Bull. Chem. Soc. Jpn. 1997, 70, 1239.
-
(1997)
Bull. Chem. Soc. Jpn.
, vol.70
, pp. 1239
-
-
Matsumoto, K.1
Sano, Y.2
Kawano, M.3
Uemura, H.4
Matsunami, J.5
Sato, T.6
-
22
-
-
33749107467
-
-
(c) Ghiladi, M.; Jensen, K. B.; Jiang, J. Z.; McKenzie, C. J.; Morup, S.; Sotofte, I.; Ulstrup, J. J. Chem. Soc., Dalton Trans. 1999, 2675.
-
(1999)
J. Chem. Soc., Dalton Trans.
, pp. 2675
-
-
Ghiladi, M.1
Jensen, K.B.2
Jiang, J.Z.3
McKenzie, C.J.4
Morup, S.5
Sotofte, I.6
Ulstrup, J.7
-
23
-
-
0343957132
-
-
(d) Ghiladi, M.; McKenzie, C. J.; Meier, A.; Powell, A. K.; Ulstrup, J.; Wocadlo, S. J. Chem. Soc., Dalton Trans. 1997, 4011.
-
(1997)
J. Chem. Soc., Dalton Trans.
, pp. 4011
-
-
Ghiladi, M.1
McKenzie, C.J.2
Meier, A.3
Powell, A.K.4
Ulstrup, J.5
Wocadlo, S.6
-
24
-
-
43949163375
-
-
(e) Zang, Y.; Jang, H. G.; Chiou, Y. M.; Hendrich, M. P.; Que, L. Inorg. Chim. Acta 1993, 213, 41.
-
(1993)
Inorg. Chim. Acta
, vol.213
, pp. 41
-
-
Zang, Y.1
Jang, H.G.2
Chiou, Y.M.3
Hendrich, M.P.4
Que, L.5
-
25
-
-
0000186019
-
-
(a) Gómez-Romero, P.; DeFotis, G. C.; Jameson, G. B. J. Am. Chem. Soc. 1986, 108, 851.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 851
-
-
Gómez-Romero, P.1
DeFotis, G.C.2
Jameson, G.B.3
-
26
-
-
0039721912
-
-
(b) Gómez-Romero, P.; Witten, E. H.; Reiff, W. M.; Jameson, G. B. Inorg. Chem. 1990, 29, 5211.
-
(1990)
Inorg. Chem.
, vol.29
, pp. 5211
-
-
Gómez-Romero, P.1
Witten, E.H.2
Reiff, W.M.3
Jameson, G.B.4
-
27
-
-
0037179956
-
-
(c) Borzel, H.; Comba, P.; Hagen, K. S.; Lampeka, Y. D.; Lienke, A.; Linti, G.; Merz, M.; Pritzkow, H.; Tsymbal, L. V. Inorg. Chim. Acta 2002, 337, 407.
-
(2002)
Inorg. Chim. Acta
, vol.337
, pp. 407
-
-
Borzel, H.1
Comba, P.2
Hagen, K.S.3
Lampeka, Y.D.4
Lienke, A.5
Linti, G.6
Merz, M.7
Pritzkow, H.8
Tsymbal, L.V.9
-
28
-
-
0141769703
-
-
(d) Moll, N.; Banse, F.; Miki, K.; Nierlich, M.; Girerd, J. J. Eur. J. Inorg. Chem. 2002, 1941.
-
(2002)
Eur. J. Inorg. Chem.
, pp. 1941
-
-
Moll, N.1
Banse, F.2
Miki, K.3
Nierlich, M.4
Girerd, J.J.5
-
29
-
-
0037425168
-
-
(e) Balland, V.; Banse, F.; Anxolabéhère-Mallart, E.; Ghiladi, M.; Mattioli, T. A.; Philouze, C.; Blondin, G.; Girerd, J. J. Inorg. Chem. 2003, 42, 2470.
-
(2003)
Inorg. Chem.
, vol.42
, pp. 2470
-
-
Balland, V.1
Banse, F.2
Anxolabéhère-Mallart, E.3
Ghiladi, M.4
Mattioli, T.A.5
Philouze, C.6
Blondin, G.7
Girerd, J.J.8
-
30
-
-
0036588141
-
-
(f) Liu, X. M.; Kilner, C. A.; Halcrow, M. A. Acta Crystallogr., Sect. C: Cryst. Struct. Commun. 2002, 58, m290.
-
(2002)
Acta Crystallogr., Sect. C: Cryst. Struct. Commun.
, vol.58
-
-
Liu, X.M.1
Kilner, C.A.2
Halcrow, M.A.3
-
31
-
-
0024786708
-
-
(g) Gómez-Romero, P.; Witten, E. H.; Reiff, W. M.; Backes, G.; Sandersloehr, J.; Jameson, G. B. J. Am. Chem. Soc. 1989, 111, 9039.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 9039
-
-
Gómez-Romero, P.1
Witten, E.H.2
Reiff, W.M.3
Backes, G.4
Sandersloehr, J.5
Jameson, G.B.6
-
32
-
-
0000757499
-
-
(h) Wang, J. P.; Mashuta, M. S.; Sun, Z. M.; Richardson, J. F.; Hendrickson, D. N.; Buchanan, R. M. Inorg. Chem. 1996, 35, 6642.
-
(1996)
Inorg. Chem.
, vol.35
, pp. 6642
-
-
Wang, J.P.1
Mashuta, M.S.2
Sun, Z.M.3
Richardson, J.F.4
Hendrickson, D.N.5
Buchanan, R.M.6
-
33
-
-
0041179485
-
-
(i) Ondrejkovièová, I.; Lis, T.; Mroziñski, J.; Vanèová, V.; Melník, M. Polyhedron 1998, 17, 3181.
-
(1998)
Polyhedron
, vol.17
, pp. 3181
-
-
Ondrejkovièová, I.1
Lis, T.2
Mroziñski, J.3
Vanèová, V.4
Melník, M.5
-
34
-
-
0040041979
-
-
(j) Ondrejkovièová, I.; Lis, T.; Mroziñski, J.; Vanèová, V.; Melník, M. Inorg. Chim. Acta 1998, 277, 127.
-
(1998)
Inorg. Chim. Acta
, vol.277
, pp. 127
-
-
Ondrejkovièová, I.1
Lis, T.2
Mroziñski, J.3
Vanèová, V.4
Melník, M.5
-
35
-
-
0001008532
-
-
(k) James, M.; Kawaguchi, H.; Tatsumi, K. Polyhedron 1997, 16, 4279.
-
(1997)
Polyhedron
, vol.16
, pp. 4279
-
-
James, M.1
Kawaguchi, H.2
Tatsumi, K.3
-
36
-
-
0001250528
-
-
Adam, K. R.; Atkinson, I. M.; Lindoy, L. F. Inorg. Chem. 1997, 36, 480.
-
(1997)
Inorg. Chem.
, vol.36
, pp. 480
-
-
Adam, K.R.1
Atkinson, I.M.2
Lindoy, L.F.3
-
38
-
-
0038037444
-
-
(b) Berry, J. F.; Cotton, F. A.; Lu, T. B.; Murillo, C. A. Inorg. Chem. 2003, 42, 4425.
-
(2003)
Inorg. Chem.
, vol.42
, pp. 4425
-
-
Berry, J.F.1
Cotton, F.A.2
Lu, T.B.3
Murillo, C.A.4
-
39
-
-
33645086949
-
-
note
-
The variable-temperature Mössbauer spectra are given in the Supporting Information.
-
-
-
-
40
-
-
0042894531
-
-
Drew, M. G. B.; McKee, V.; Nelson, S. M. J. Chem. Soc., Dalton Trans. 1978, 80.
-
(1978)
J. Chem. Soc., Dalton Trans.
, pp. 80
-
-
Drew, M.G.B.1
McKee, V.2
Nelson, S.M.3
-
41
-
-
23044490810
-
-
(a) Fouqueau, A.; Casida, M. E.; Daku, L. M. L.; Hauser, A.; Neese, F. J. Chem. Phys. 2005, 122, 044110.
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 044110
-
-
Fouqueau, A.1
Casida, M.E.2
Daku, L.M.L.3
Hauser, A.4
Neese, F.5
-
42
-
-
2942587236
-
-
(b) Fouqueau, A.; Mer, S.; Casida, M. E.; Daku, L. M. L.; Hauser, A.; Mineva, T.; Neese, F. J. Chem. Phys. 2004, 120, 9473.
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 9473
-
-
Fouqueau, A.1
Mer, S.2
Casida, M.E.3
Daku, L.M.L.4
Hauser, A.5
Mineva, T.6
Neese, F.7
-
43
-
-
23344449621
-
-
(c) Ganzenmuller, G.; Berkaine, N.; Fouqueau, A.; Casida, M. E.; Reiher, M. J. Chem. Phys. 2005, 122, 234321.
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 234321
-
-
Ganzenmuller, G.1
Berkaine, N.2
Fouqueau, A.3
Casida, M.E.4
Reiher, M.5
-
45
-
-
84962441174
-
-
Clark, T.; Hennemann, M.; van Eldik, R.; Meyerstein, D. Inorg. Chem. 2002, 41, 2927.
-
(2002)
Inorg. Chem.
, vol.41
, pp. 2927
-
-
Clark, T.1
Hennemann, M.2
Van Eldik, R.3
Meyerstein, D.4
-
46
-
-
0035854954
-
-
Grapperhaus, C. A.; Bill, E.; Weyhermüller, T.; Neese, F.; Wieghardt, K. Inorg. Chem. 2001, 40, 4191.
-
(2001)
Inorg. Chem.
, vol.40
, pp. 4191
-
-
Grapperhaus, C.A.1
Bill, E.2
Weyhermüller, T.3
Neese, F.4
Wieghardt, K.5
-
48
-
-
16244368048
-
-
Sinnecker, S.; Slep, L. D.; Bill, E.; Neese, F. Inorg. Chem. 2005, 44, 2245.
-
(2005)
Inorg. Chem.
, vol.44
, pp. 2245
-
-
Sinnecker, S.1
Slep, L.D.2
Bill, E.3
Neese, F.4
-
49
-
-
0001175609
-
-
Lever, A. B. P., Gray, H. B., Eds.; VCH: Weinheim, Germany
-
Debrunner, P. G. In Iron Porphyrins Part III; Lever, A. B. P., Gray, H. B., Eds.; VCH: Weinheim, Germany, 1989; Vol. III, p 137.
-
(1989)
Iron Porphyrins Part III
, vol.3
, pp. 137
-
-
Debrunner, P.G.1
-
50
-
-
33645091704
-
-
note
-
It should be mentioned that the solid-state structure of 1 does contain M-N-H⋯S hydrogen bonds similar to those described by Meyerstein, but before the physical measurements were made (i.e., susceptibility or Mössbauer measurements), the sample was crushed and the interstitial solvent was removed in vacuo. Proof of this is seen in the elemental analysis of 1, in which no solvent of methanol is found.
-
-
-
-
51
-
-
33645058503
-
-
note
-
+ species are monoanions, the solvation energy is expected to be significantly lower.
-
-
-
-
52
-
-
33645076335
-
-
note
-
Although hydrogen atoms were placed in calculated positions in the crystal structure, geometry optimization by DFT leaves these hydrogen atoms near the positions found in the structure. Also, a close H⋯H contact of 2.35 Å is apparent on the other side of the molecule. The van der Waals radii of H and F are 1.20 and 1.47 Å, respectively.
-
-
-
-
53
-
-
33645053590
-
-
note
-
It should also be mentioned that the difference in the calculated Fe-N distances could also be due to the systematic overestimation of the Fe-N bond distances in the methylated complex.
-
-
-
-
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-
-
33645093530
-
-
note
-
a values measured in solution.
-
-
-
-
55
-
-
0038574351
-
-
Grapperhaus, C. A.; Li, M.; Patra, A. K.; Poturovic, S.; Kozlowski, P. M.; Zgierski, M. Z.; Mashuta, M. S. Inorg. Chem. 2003, 42, 4382.
-
(2003)
Inorg. Chem.
, vol.42
, pp. 4382
-
-
Grapperhaus, C.A.1
Li, M.2
Patra, A.K.3
Poturovic, S.4
Kozlowski, P.M.5
Zgierski, M.Z.6
Mashuta, M.S.7
-
56
-
-
33645086464
-
-
Bruker Analytical X-ray Systems, Inc.: Madison, WI
-
SMART, version 5.618; Bruker Analytical X-ray Systems, Inc.: Madison, WI, 1998.
-
(1998)
SMART, Version 5.618
-
-
-
57
-
-
0003587328
-
-
Bruker Analytical X-ray Systems, Inc.: Madison, WI
-
SAINTPLUS, version 6.45A; Bruker Analytical X-ray Systems, Inc.: Madison, WI, 1998.
-
(1998)
SAINTPLUS, Version 6.45A
-
-
-
59
-
-
0004150157
-
-
University of Göttingen: Göttingen, Germany
-
Sheldrick, G. M. SHELXTL97; University of Göttingen: Göttingen, Germany, 1997.
-
(1997)
SHELXTL97
-
-
Sheldrick, G.M.1
-
60
-
-
0003984036
-
-
Max-Planck-Institut für Strahlenchemie: Mülheim, Germany
-
Neese, F. ORCA - an ab initio, DFT, and Semiempirical Electronic Structure Package, version 2.2; Max-Planck-Institut für Strahlenchemie: Mülheim, Germany, 2003.
-
(2003)
ORCA - An Ab Initio, DFT, and Semiempirical Electronic Structure Package, Version 2.2
-
-
Neese, F.1
-
61
-
-
26344435738
-
-
Schafer, A.; Horn, H.; Ahlrichs, R. J. Chem. Phys. 1992, 97, 2571.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 2571
-
-
Schafer, A.1
Horn, H.2
Ahlrichs, R.3
-
62
-
-
0010695872
-
-
Madison, WI
-
Glendening, E. D.; Badenhoop, J. K.; Reed, A. E.; Carpenter, J. E.; Bohmann, J. A.; Morales, C. M.; Weinhold, F. NBO, version 5.0; Madison, WI, 2001.
-
(2001)
NBO, Version 5.0
-
-
Glendening, E.D.1
Badenhoop, J.K.2
Reed, A.E.3
Carpenter, J.E.4
Bohmann, J.A.5
Morales, C.M.6
Weinhold, F.7
-
64
-
-
17744364713
-
-
(b) Schöneboom, J. C.; Neese, F.; Thiel, W. J. Am. Chem. Soc. 2005, 127, 5840.
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 5840
-
-
Schöneboom, J.C.1
Neese, F.2
Thiel, W.3
-
66
-
-
0004294294
-
-
Swiss Center for Scientific Computing: Manno, Switzerland
-
Flükiger, P.; Lüthi, H. P.; Portmann, S.; Weber, J. MOLEKEL, version 4.0; Swiss Center for Scientific Computing: Manno, Switzerland, 2000.
-
(2000)
MOLEKEL, Version 4.0
-
-
Flükiger, P.1
Lüthi, H.P.2
Portmann, S.3
Weber, J.4
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