메뉴 건너뛰기




Volumn 695, Issue 5, 2010, Pages 721-729

Influence of the basicity of internal bases in diiron model complexes on hydrides formation and their transformation into protonated diiron hexacarbonyl form

Author keywords

FeFe hydrogenase; Bridging hydride; DFT calculation; Internal base; Model complex

Indexed keywords

BASE MODELS; BRIDGING HYDRIDE; DFT CALCULATION; DIIRON CENTRES; DITHIOLS; FORMATION REACTION; HEXACARBONYL COMPLEX; HYDROGENASES; MODEL COMPLEXES; PENTACARBONYL; PENTACARBONYL COMPLEXES; POSITIVE CORRELATIONS; PROTONATED; SPECTROSCOPIC TECHNIQUE;

EID: 75749143458     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2009.12.007     Document Type: Article
Times cited : (25)

References (63)
  • 1
    • 0032483966 scopus 로고    scopus 로고
    • X-ray crystal structure of the Fe-only hydrogenase (Cpl) from Clostridium pasteurianum to 1.8 angstrom resolution
    • Peters J.W., Lanzilotta W.N., Lemon B.J., and Seefeldt L.C. X-ray crystal structure of the Fe-only hydrogenase (Cpl) from Clostridium pasteurianum to 1.8 angstrom resolution. Science 282 5395 (1998) 1853-1858
    • (1998) Science , vol.282 , Issue.5395 , pp. 1853-1858
    • Peters, J.W.1    Lanzilotta, W.N.2    Lemon, B.J.3    Seefeldt, L.C.4
  • 2
    • 0033556301 scopus 로고    scopus 로고
    • Desulfovibrio desulfuricans iron hydrogenase: the structure shows unusual coordination to an active site Fe binuclear center
    • Nicolet Y., Piras C., Legrand P., Hatchikian C.E., and Fontecilla-Camps J.C. Desulfovibrio desulfuricans iron hydrogenase: the structure shows unusual coordination to an active site Fe binuclear center. Struct. Fold. Des. 7 1 (1999) 13-23
    • (1999) Struct. Fold. Des. , vol.7 , Issue.1 , pp. 13-23
    • Nicolet, Y.1    Piras, C.2    Legrand, P.3    Hatchikian, C.E.4    Fontecilla-Camps, J.C.5
  • 3
    • 0035915325 scopus 로고    scopus 로고
    • Synthetic and structural studies on [Fe-2(SR)(2)(CN)(x)(CO)(6 - x)](x-) as active site models for Fe-only hydrogenases
    • Gloaguen F., Lawrence J.D., Schmidt M., Wilson S.R., and Rauchfuss T.B. Synthetic and structural studies on [Fe-2(SR)(2)(CN)(x)(CO)(6 - x)](x-) as active site models for Fe-only hydrogenases. J. Am. Chem. Soc. 123 50 (2001) 12518-12527
    • (2001) J. Am. Chem. Soc. , vol.123 , Issue.50 , pp. 12518-12527
    • Gloaguen, F.1    Lawrence, J.D.2    Schmidt, M.3    Wilson, S.R.4    Rauchfuss, T.B.5
  • 6
    • 0037121871 scopus 로고    scopus 로고
    • Bimetallic carbonyl thiolates as functional models for Fe-only hydrogenases
    • Gloaguen F., Lawrence J.D., Rauchfuss T.B., Benard M., and Rohmer M.M. Bimetallic carbonyl thiolates as functional models for Fe-only hydrogenases. Inorg. Chem. 41 25 (2002) 6573-6582
    • (2002) Inorg. Chem. , vol.41 , Issue.25 , pp. 6573-6582
    • Gloaguen, F.1    Lawrence, J.D.2    Rauchfuss, T.B.3    Benard, M.4    Rohmer, M.M.5
  • 7
    • 0142244261 scopus 로고    scopus 로고
    • Chemistry and the hydrogenases
    • Evans D.J., and Pickett C.J. Chemistry and the hydrogenases. Chem. Soc. Rev. 32 5 (2003) 268-275
    • (2003) Chem. Soc. Rev. , vol.32 , Issue.5 , pp. 268-275
    • Evans, D.J.1    Pickett, C.J.2
  • 9
    • 11244271592 scopus 로고    scopus 로고
    • Electron transfer at a dithiolate-bridged diiron assembly: electrocatalytic hydrogen evolution
    • Borg S.J., Behrsing T., Best S.P., Razavet M., Liu X.M., and Pickett C.J. Electron transfer at a dithiolate-bridged diiron assembly: electrocatalytic hydrogen evolution. J. Am. Chem. Soc. 126 51 (2004) 16988-16999
    • (2004) J. Am. Chem. Soc. , vol.126 , Issue.51 , pp. 16988-16999
    • Borg, S.J.1    Behrsing, T.2    Best, S.P.3    Razavet, M.4    Liu, X.M.5    Pickett, C.J.6
  • 10
    • 4444285930 scopus 로고    scopus 로고
    • Electrocatalytic proton reduction by phosphido-bridged diiron carbonyl compounds: distant relations to the H-cluster?
    • Cheah M.H., Borg S.J., Bondin M.I., and Best S.P. Electrocatalytic proton reduction by phosphido-bridged diiron carbonyl compounds: distant relations to the H-cluster?. Inorg. Chem. 43 18 (2004) 5635-5644
    • (2004) Inorg. Chem. , vol.43 , Issue.18 , pp. 5635-5644
    • Cheah, M.H.1    Borg, S.J.2    Bondin, M.I.3    Best, S.P.4
  • 11
    • 23644455996 scopus 로고    scopus 로고
    • Iron-only hydrogenase: synthetic, structural and reactivity studies of model compounds
    • Liu X.M., Ibrahim S.K., Tard C., and Pickett C.J. Iron-only hydrogenase: synthetic, structural and reactivity studies of model compounds. Coord. Chem. Rev. 249 15-16 (2005) 1641-1652
    • (2005) Coord. Chem. Rev. , vol.249 , Issue.15-16 , pp. 1641-1652
    • Liu, X.M.1    Ibrahim, S.K.2    Tard, C.3    Pickett, C.J.4
  • 13
    • 34548795961 scopus 로고    scopus 로고
    • Modeling [Fe-Fe] hydrogenase: evidence for bridging carbonyl and distal iron coordination vacancy in an electrocatalytically competent proton reduction by an iron thiolate assembly that operates through Fe(0)-Fe(II) levels
    • Cheah M.H., Tard C., Borg S.J., Liu X.M., Ibrahim S.K., Pickett C.J., and Best S.P. Modeling [Fe-Fe] hydrogenase: evidence for bridging carbonyl and distal iron coordination vacancy in an electrocatalytically competent proton reduction by an iron thiolate assembly that operates through Fe(0)-Fe(II) levels. J. Am. Chem. Soc. 129 36 (2007) 11085-11092
    • (2007) J. Am. Chem. Soc. , vol.129 , Issue.36 , pp. 11085-11092
    • Cheah, M.H.1    Tard, C.2    Borg, S.J.3    Liu, X.M.4    Ibrahim, S.K.5    Pickett, C.J.6    Best, S.P.7
  • 14
    • 36349000257 scopus 로고    scopus 로고
    • Electron-transfer-catalyzed rearrangement of unsymmetrically substituted diiron dithiolate complexes related to-the active site of the [FeFe]-hydrogenases
    • Ezzaher S., Capon J.F., Gloaguen F., Petillon F.Y., Schollhammer P., and Talarmin J. Electron-transfer-catalyzed rearrangement of unsymmetrically substituted diiron dithiolate complexes related to-the active site of the [FeFe]-hydrogenases. Inorg. Chem. 46 23 (2007) 9863-9872
    • (2007) Inorg. Chem. , vol.46 , Issue.23 , pp. 9863-9872
    • Ezzaher, S.1    Capon, J.F.2    Gloaguen, F.3    Petillon, F.Y.4    Schollhammer, P.5    Talarmin, J.6
  • 17
    • 36849089127 scopus 로고    scopus 로고
    • Models for the hydrogenases put the focus where it should be-hydrogen
    • Mealli C., and Rauchfuss T.B. Models for the hydrogenases put the focus where it should be-hydrogen. Angew. Chem., Int. Ed. 46 47 (2007) 8942-8944
    • (2007) Angew. Chem., Int. Ed. , vol.46 , Issue.47 , pp. 8942-8944
    • Mealli, C.1    Rauchfuss, T.B.2
  • 19
    • 34948851456 scopus 로고    scopus 로고
    • Synthesis, structural characterization, and some properties of new N-functionally substituted diiron azadithiolate complexes as biomimetic models of iron-only hydrogenases
    • Song L.C., Yin B.S., Li Y.L., Zhao L.Q., Ge J.H., Yang Z.Y., and Hu Q.M. Synthesis, structural characterization, and some properties of new N-functionally substituted diiron azadithiolate complexes as biomimetic models of iron-only hydrogenases. Organometallics 26 (2007) 4921-4929
    • (2007) Organometallics , vol.26 , pp. 4921-4929
    • Song, L.C.1    Yin, B.S.2    Li, Y.L.3    Zhao, L.Q.4    Ge, J.H.5    Yang, Z.Y.6    Hu, Q.M.7
  • 21
    • 46749145430 scopus 로고    scopus 로고
    • Synthesis, structure, and electrocatalysis of diiron C-functionalized propanedithiolate (PDT) complexes related to the active site of [FeFe]-hydrogenases
    • Song L.C., Li C.G., Gao J., Yin B.S., Luo X., Zhang X.G., Bao H.L., and Hu Q.M. Synthesis, structure, and electrocatalysis of diiron C-functionalized propanedithiolate (PDT) complexes related to the active site of [FeFe]-hydrogenases. Inorg. Chem. 47 11 (2008) 4545-4553
    • (2008) Inorg. Chem. , vol.47 , Issue.11 , pp. 4545-4553
    • Song, L.C.1    Li, C.G.2    Gao, J.3    Yin, B.S.4    Luo, X.5    Zhang, X.G.6    Bao, H.L.7    Hu, Q.M.8
  • 22
    • 67649283572 scopus 로고    scopus 로고
    • Structural and functional analogues of the active sites of the [Fe]-, [NiFe]-, and [FeFe]-hydrogenases
    • Tard C., and Pickett C.J. Structural and functional analogues of the active sites of the [Fe]-, [NiFe]-, and [FeFe]-hydrogenases. Chem. Rev. 109 6 (2009) 2245-2274
    • (2009) Chem. Rev. , vol.109 , Issue.6 , pp. 2245-2274
    • Tard, C.1    Pickett, C.J.2
  • 23
    • 35748933836 scopus 로고    scopus 로고
    • Investigating and exploiting the electrocatalytic properties of hydrogenases
    • Vincent K.A., Parkin A., and Armstrong F.A. Investigating and exploiting the electrocatalytic properties of hydrogenases. Chem. Rev. 107 10 (2007) 4366-4413
    • (2007) Chem. Rev. , vol.107 , Issue.10 , pp. 4366-4413
    • Vincent, K.A.1    Parkin, A.2    Armstrong, F.A.3
  • 24
    • 35748942883 scopus 로고    scopus 로고
    • Computational studies of [NiFe] and [FeFe] hydrogenases
    • Siegbahn P.E.M., Tye J.W., and Hall M.B. Computational studies of [NiFe] and [FeFe] hydrogenases. Chem. Rev. 107 10 (2007) 4414-4435
    • (2007) Chem. Rev. , vol.107 , Issue.10 , pp. 4414-4435
    • Siegbahn, P.E.M.1    Tye, J.W.2    Hall, M.B.3
  • 25
    • 61549134543 scopus 로고    scopus 로고
    • Electron and proton transfers at diiron dithiolate sites relevant to the catalysis of proton reduction by the [FeFe]-hydrogenases
    • Capon J.F., Gloaguen F., Petillon F.Y., Schollhammer P., and Talarmin J. Electron and proton transfers at diiron dithiolate sites relevant to the catalysis of proton reduction by the [FeFe]-hydrogenases. Coord. Chem. Rev. 253 9-10 (2009) 1476-1494
    • (2009) Coord. Chem. Rev. , vol.253 , Issue.9-10 , pp. 1476-1494
    • Capon, J.F.1    Gloaguen, F.2    Petillon, F.Y.3    Schollhammer, P.4    Talarmin, J.5
  • 26
    • 34250172715 scopus 로고    scopus 로고
    • A mixed-valent, Fe(II)Fe(I), diiron complex reproduces the unique rotated state of the [FeFe]hydrogenase active site
    • Liu T., and Darensbourg M.Y. A mixed-valent, Fe(II)Fe(I), diiron complex reproduces the unique rotated state of the [FeFe]hydrogenase active site. J. Am. Chem. Soc. 129 22 (2007) 7008-7009
    • (2007) J. Am. Chem. Soc. , vol.129 , Issue.22 , pp. 7008-7009
    • Liu, T.1    Darensbourg, M.Y.2
  • 28
    • 0038375775 scopus 로고    scopus 로고
    • Dinuclear iron isonitrile complexes: models for the iron hydrogenase active site
    • Nehring J.L., and Heinekey D.M. Dinuclear iron isonitrile complexes: models for the iron hydrogenase active site. Inorg. Chem. 42 14 (2003) 4288-4292
    • (2003) Inorg. Chem. , vol.42 , Issue.14 , pp. 4288-4292
    • Nehring, J.L.1    Heinekey, D.M.2
  • 29
    • 0842347863 scopus 로고    scopus 로고
    • Enzymatic mechanism of Fe-only hydrogenase: density functional study on H-H Making/breaking at the diiron cluster with concerted proton and electron transfers
    • Zhou T., Mo Y., Liu A., Zhou Z., and Tsai K.R. Enzymatic mechanism of Fe-only hydrogenase: density functional study on H-H Making/breaking at the diiron cluster with concerted proton and electron transfers. Inorg. Chem. 43 3 (2004) 923-930
    • (2004) Inorg. Chem. , vol.43 , Issue.3 , pp. 923-930
    • Zhou, T.1    Mo, Y.2    Liu, A.3    Zhou, Z.4    Tsai, K.R.5
  • 30
    • 33645461565 scopus 로고    scopus 로고
    • An insight into the protonation property of a diiron azadithiolate complex pertinent to the active site of Fe-only hydirogenases
    • Dong W.B., Wang M., Liu X.Y., Jin K., Li G.H., Wang F.J., and Sun L.C. An insight into the protonation property of a diiron azadithiolate complex pertinent to the active site of Fe-only hydirogenases. Chem. Commun. 3 (2006) 305-307
    • (2006) Chem. Commun. , vol.3 , pp. 305-307
    • Dong, W.B.1    Wang, M.2    Liu, X.Y.3    Jin, K.4    Li, G.H.5    Wang, F.J.6    Sun, L.C.7
  • 34
    • 56349134963 scopus 로고    scopus 로고
    • A proton-hydride diiron complex with a base-containing diphosphine ligand relevant to the [FeFe]-hydrogenase active site
    • Wang N., Wang M., Zhang T.T., Li P., Liu J.H., and Sun L.C. A proton-hydride diiron complex with a base-containing diphosphine ligand relevant to the [FeFe]-hydrogenase active site. Chem. Commun. 44 (2008) 5800-5802
    • (2008) Chem. Commun. , vol.44 , pp. 5800-5802
    • Wang, N.1    Wang, M.2    Zhang, T.T.3    Li, P.4    Liu, J.H.5    Sun, L.C.6
  • 35
    • 59849087976 scopus 로고    scopus 로고
    • Influence of a pendant amine in the second coordination sphere on proton transfer at a dissymmetrically disubstituted diiron system related to the [2Fe](H) subsite of [FeFe]H(2)ase
    • Ezzaher S., Capon J.F., Gloaguen F., Petillon F.Y., Schollhammer P., Talarmin J., and Kervarec N. Influence of a pendant amine in the second coordination sphere on proton transfer at a dissymmetrically disubstituted diiron system related to the [2Fe](H) subsite of [FeFe]H(2)ase. Inorg. Chem. 48 1 (2009) 2-4
    • (2009) Inorg. Chem. , vol.48 , Issue.1 , pp. 2-4
    • Ezzaher, S.1    Capon, J.F.2    Gloaguen, F.3    Petillon, F.Y.4    Schollhammer, P.5    Talarmin, J.6    Kervarec, N.7
  • 37
    • 0035820991 scopus 로고    scopus 로고
    • {2Fe3S} clusters related to the di-iron sub-site of the H-centre of all-iron hydrogenases
    • Razavet M., Davies S.C., Hughes D.L., and Pickett C.J. {2Fe3S} clusters related to the di-iron sub-site of the H-centre of all-iron hydrogenases. Chem. Commun. 9 (2001) 847-848
    • (2001) Chem. Commun. , vol.9 , pp. 847-848
    • Razavet, M.1    Davies, S.C.2    Hughes, D.L.3    Pickett, C.J.4
  • 38
    • 0001343531 scopus 로고    scopus 로고
    • Titanium and zirconium complexes containing a novel dianionic trifunctional amido ligand
    • Friedrich S., Schubart M., Gade L.H., Scowen I.J., Edwards A.J., and McPartlin M. Titanium and zirconium complexes containing a novel dianionic trifunctional amido ligand. Chem. Ber. 130 12 (1997) 1751-1759
    • (1997) Chem. Ber. , vol.130 , Issue.12 , pp. 1751-1759
    • Friedrich, S.1    Schubart, M.2    Gade, L.H.3    Scowen, I.J.4    Edwards, A.J.5    McPartlin, M.6
  • 39
    • 68749097316 scopus 로고    scopus 로고
    • Synthesis and characterisation of three diiron tetracarbonyl complexes related to the diiron centre of [FeFe]-hydrogenase and their protonating, electrochemical investigations
    • Wang Y.W., Li Z.M., Zeng X.H., Wang X.F., Zhan C.X., Liu Y.Q., Zeng X.R., Luo Q.Y., and Liu X.M., Synthesis and characterisation of three diiron tetracarbonyl complexes related to the diiron centre of [FeFe]-hydrogenase and their protonating, electrochemical investigations. New J. Chem. 33 8 (2009) 1780-1789
    • (2009) New J. Chem. , vol.33 , Issue.8 , pp. 1780-1789
    • Wang, Y.W.1    Li, Z.M.2    Zeng, X.H.3    Wang, X.F.4    Zhan, C.X.5    Liu, Y.Q.6    Zeng, X.R.7    Luo, Q.Y.8    Liu, X.M.9
  • 41
    • 4243539377 scopus 로고
    • Electronic structure calculations on workstation computers: the program system turbomole
    • Ahlrichs R., Bar M., Haser M., Horn H., and Kolmel C. Electronic structure calculations on workstation computers: the program system turbomole. Chem. Phys. Lett. 162 3 (1989) 165-169
    • (1989) Chem. Phys. Lett. , vol.162 , Issue.3 , pp. 165-169
    • Ahlrichs, R.1    Bar, M.2    Haser, M.3    Horn, H.4    Kolmel, C.5
  • 42
    • 0039209924 scopus 로고
    • Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li-Kr
    • Schafer A., Huber C., and Ahlrichs R. Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li-Kr. J. Chem. Phys. 100 8 (1994) 5829-5835
    • (1994) J. Chem. Phys. , vol.100 , Issue.8 , pp. 5829-5835
    • Schafer, A.1    Huber, C.2    Ahlrichs, R.3
  • 43
    • 5944261746 scopus 로고
    • Density-functional approximation for the correlation energy of the inhomogeneous electron gas
    • Perdew J.P. Density-functional approximation for the correlation energy of the inhomogeneous electron gas. Phys. Rev. B 33 12 (1986) 8822-8824
    • (1986) Phys. Rev. B , vol.33 , Issue.12 , pp. 8822-8824
    • Perdew, J.P.1
  • 44
    • 4243553426 scopus 로고
    • Density-functional exchange-energy approximation with correct asymptotic behavior
    • Becke A.D. Density-functional exchange-energy approximation with correct asymptotic behavior. Phys. Rev. A 38 6 (1988) 3098-3100
    • (1988) Phys. Rev. A , vol.38 , Issue.6 , pp. 3098-3100
    • Becke, A.D.1
  • 45
    • 23644437690 scopus 로고    scopus 로고
    • DFT investigations of models related to the active site of [NiFe] and [Fe] hydrogenases
    • Bruschi M., Zampella G., Fantucci P., and De Gioia L. DFT investigations of models related to the active site of [NiFe] and [Fe] hydrogenases. Coord. Chem. Rev. 249 15-16 (2005) 1620-1640
    • (2005) Coord. Chem. Rev. , vol.249 , Issue.15-16 , pp. 1620-1640
    • Bruschi, M.1    Zampella, G.2    Fantucci, P.3    De Gioia, L.4
  • 46
    • 75749126347 scopus 로고    scopus 로고
    • L. Bertini, M. Bruschi, L. de Gioia, P. Fantucci, C. Greco, G. Zampella, Quantum chemical investigations of reaction paths of metalloenzymes and biomimetic models - the hydrogenase example, Atomistic Approaches Mod. Biol. (2007) 1-46.
    • L. Bertini, M. Bruschi, L. de Gioia, P. Fantucci, C. Greco, G. Zampella, Quantum chemical investigations of reaction paths of metalloenzymes and biomimetic models - the hydrogenase example, Atomistic Approaches Mod. Biol. (2007) 1-46.
  • 48
    • 0001717840 scopus 로고
    • Transition-state optimizations by trust-region image minimization
    • Helgaker T. Transition-state optimizations by trust-region image minimization. Chem. Phys. Lett. 182 5 (1991) 503-510
    • (1991) Chem. Phys. Lett. , vol.182 , Issue.5 , pp. 503-510
    • Helgaker, T.1
  • 49
    • 0031285825 scopus 로고    scopus 로고
    • Auxiliary basis sets for main row atoms and transition metals and their use to approximate Coulomb potentials
    • Eichkorn K., Weigend F., Treutler O., and Ahlrichs R. Auxiliary basis sets for main row atoms and transition metals and their use to approximate Coulomb potentials. Theor. Chem. Acc. 97 1 (1997) 119-124
    • (1997) Theor. Chem. Acc. , vol.97 , Issue.1 , pp. 119-124
    • Eichkorn, K.1    Weigend, F.2    Treutler, O.3    Ahlrichs, R.4
  • 50
    • 0034656445 scopus 로고    scopus 로고
    • COSMO implementation in TURBOMOLE: extension of an efficient quantum chemical code towards liquid systems
    • Schafer A., Klamt A., Sattel D., Lohrenz J.C.W., and Eckert F. COSMO implementation in TURBOMOLE: extension of an efficient quantum chemical code towards liquid systems. Phys. Chem. Chem. Phys. 2 10 (2000) 2187-2193
    • (2000) Phys. Chem. Chem. Phys. , vol.2 , Issue.10 , pp. 2187-2193
    • Schafer, A.1    Klamt, A.2    Sattel, D.3    Lohrenz, J.C.W.4    Eckert, F.5
  • 51
    • 34447338848 scopus 로고    scopus 로고
    • Synthesis and antibacterial activity of novel fluoroquinolones containing substituted piperidines
    • Dang Z., Yang Y., Ji R., and Zhang S. Synthesis and antibacterial activity of novel fluoroquinolones containing substituted piperidines. Bioorg. Med. Chem. Lett. 17 16 (2007) 4523-4526
    • (2007) Bioorg. Med. Chem. Lett. , vol.17 , Issue.16 , pp. 4523-4526
    • Dang, Z.1    Yang, Y.2    Ji, R.3    Zhang, S.4
  • 52
    • 34249330905 scopus 로고    scopus 로고
    • An efficient synthesis of 2-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)morpholine: a potent M1 selective muscarinic agonist
    • Sunil Kumar Y.C., Sadashiva M.P., and Rangappa K.S. An efficient synthesis of 2-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)morpholine: a potent M1 selective muscarinic agonist. Tetrahedron Lett. 48 26 (2007) 4565-4568
    • (2007) Tetrahedron Lett. , vol.48 , Issue.26 , pp. 4565-4568
    • Sunil Kumar, Y.C.1    Sadashiva, M.P.2    Rangappa, K.S.3
  • 53
    • 12444278133 scopus 로고    scopus 로고
    • 3S} complexes related to the active site of all-iron hydrogenases by DFT analysis of energetics, transition states, intermediates and products in the carbonyl substitution pathway
    • 3S} complexes related to the active site of all-iron hydrogenases by DFT analysis of energetics, transition states, intermediates and products in the carbonyl substitution pathway. Chem. Eur. J. 11 2 (2005) 509-520
    • (2005) Chem. Eur. J. , vol.11 , Issue.2 , pp. 509-520
    • Zampella, G.1    Bruschi, M.2    Fantucci, P.3    Razavet, M.4    Pickett, C.J.5    De Gioia, L.6
  • 54
    • 26844528154 scopus 로고
    • Correlation of the base strengths of amines1
    • Hall H.K. Correlation of the base strengths of amines1. J. Am. Chem. Soc. 79 20 (1957) 5441-5444
    • (1957) J. Am. Chem. Soc. , vol.79 , Issue.20 , pp. 5441-5444
    • Hall, H.K.1
  • 55
    • 0001573984 scopus 로고
    • Steric effects on the base strengths of cyclic amines1
    • Hall H.K. Steric effects on the base strengths of cyclic amines1. J. Am. Chem. Soc. 79 20 (1957) 5444-5447
    • (1957) J. Am. Chem. Soc. , vol.79 , Issue.20 , pp. 5444-5447
    • Hall, H.K.1
  • 57
    • 0003922512 scopus 로고    scopus 로고
    • fifth ed, Prentice Hall, Upper Saddle River, NJ
    • L.G. Wade, Organic Chemistry, fifth ed., Prentice Hall, Upper Saddle River, NJ, 2003.
    • (2003) Organic Chemistry
    • Wade, L.G.1
  • 59
    • 0039541602 scopus 로고
    • Fischer, stability of metal ion/alkyl thioether complexes in solution. Ligating properties of "isolated" sulfur atoms
    • Sigel H., Rheinberger V.M., and Fischer B.E. Fischer, stability of metal ion/alkyl thioether complexes in solution. Ligating properties of "isolated" sulfur atoms. Inorg. Chem. 18 12 (1979) 3334-3339
    • (1979) Inorg. Chem. , vol.18 , Issue.12 , pp. 3334-3339
    • Sigel, H.1    Rheinberger, V.M.2    Fischer, B.E.3
  • 60
    • 0004200260 scopus 로고
    • third ed, Brooks/Cole Pub, Pacific Grove, California
    • J. McMurry, Organic Chemistry, third ed., Brooks/Cole Pub., Pacific Grove, California, 1992.
    • (1992) Organic Chemistry
    • McMurry, J.1
  • 61
    • 0037170518 scopus 로고    scopus 로고
    • DFT investigation of structural, electronic, and catalytic properties of diiron complexes related to the [2Fe](H) subcluster of Fe-only hydrogenases
    • Bruschi M., Fantucci P., and De Gioia L. DFT investigation of structural, electronic, and catalytic properties of diiron complexes related to the [2Fe](H) subcluster of Fe-only hydrogenases. Inorg. Chem. 41 6 (2002) 1421-1429
    • (2002) Inorg. Chem. , vol.41 , Issue.6 , pp. 1421-1429
    • Bruschi, M.1    Fantucci, P.2    De Gioia, L.3
  • 62
    • 0037622847 scopus 로고    scopus 로고
    • Density functional theory investigation of the active site of [Fe]-hydrogenases: effects of redox state and ligand characteristics on structural, electronic, and reactivity properties of complexes related to the [2Fe](H) subcluster
    • Bruschi M., Fantucci P., and De Gioia L. Density functional theory investigation of the active site of [Fe]-hydrogenases: effects of redox state and ligand characteristics on structural, electronic, and reactivity properties of complexes related to the [2Fe](H) subcluster. Inorg. Chem. 42 15 (2003) 4773-4781
    • (2003) Inorg. Chem. , vol.42 , Issue.15 , pp. 4773-4781
    • Bruschi, M.1    Fantucci, P.2    De Gioia, L.3
  • 63
    • 33646911696 scopus 로고    scopus 로고
    • Proton reduction and dihydrogen oxidation on models of the [2Fe](H) cluster of [Fe] hydrogenases. A density functional theory investigation
    • Zampella G., Greco C., Fantucci P., and De Gioia L. Proton reduction and dihydrogen oxidation on models of the [2Fe](H) cluster of [Fe] hydrogenases. A density functional theory investigation. Inorg. Chem. 45 10 (2006) 4109-4118
    • (2006) Inorg. Chem. , vol.45 , Issue.10 , pp. 4109-4118
    • Zampella, G.1    Greco, C.2    Fantucci, P.3    De Gioia, L.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.