메뉴 건너뛰기




Volumn 14, Issue 31, 2008, Pages 9714-9729

Aromatic hydroxylation in a copper bis(imine) complex mediated by a μ-η2:η2 peroxo dicopper core: A mechanistic scenario

Author keywords

Copper; Hydroxylation; N ligands; O O activation; Reaction mechanisms

Indexed keywords

ABSORPTION; ACETONITRILE; ACTIVATION ENERGY; BINDING ENERGY; CHEMICAL REACTIONS; COPPER; COPPER COMPOUNDS; HYDROXYLATION; LIGANDS; METHANOL; MOLECULAR SPECTROSCOPY; NITROGEN COMPOUNDS; OXYGENATION; REACTION KINETICS; STRUCTURAL ANALYSIS;

EID: 55049084721     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200800799     Document Type: Article
Times cited : (46)

References (124)
  • 6
    • 0037683397 scopus 로고    scopus 로고
    • Eds, A. Messerschmidt, R. Huber, T. Poulos, K. Wieghardt, Wiley, New York
    • C. Eicken, C. Gerdemann, B. Krebs, Handbook of Metalloproteins, Vol. 2 (Eds.: A. Messerschmidt, R. Huber, T. Poulos, K. Wieghardt), Wiley, New York, 2001, pp. 1319.
    • (2001) Handbook of Metalloproteins , vol.2 , pp. 1319
    • Eicken, C.1    Gerdemann, C.2    Krebs, B.3
  • 9
    • 34447547008 scopus 로고    scopus 로고
    • 2nd ed, Ed, R. B. King, Wiley, New York
    • b) H. Decker in Encyclopedia of Inorganic Chemistry, Vol. 2, 2nd ed. (Ed.: R. B. King), Wiley, New York, 2006, pp. 1159-1173.
    • (2006) Encyclopedia of Inorganic Chemistry , vol.2 , pp. 1159-1173
    • Decker, H.1
  • 20
    • 0032511358 scopus 로고    scopus 로고
    • E. Pidcock, H. V. Obias, C. X. Zhang, K. D. Karlin, E. I. Solomon, J. Am. Chem. Soc. 1998, 120, 7841.
    • E. Pidcock, H. V. Obias, C. X. Zhang, K. D. Karlin, E. I. Solomon, J. Am. Chem. Soc. 1998, 120, 7841.
  • 23
    • 53849146749 scopus 로고    scopus 로고
    • A. Company, S. Palavicini, I. Garcia-Bosch, R. Mas-Ballesté, L. Que, Jr., E. Rybak-Akimova, L. Casella, X. Ribas, M. Costas, Chem. Eur. J. 2008, 14, 3535.
    • c) A. Company, S. Palavicini, I. Garcia-Bosch, R. Mas-Ballesté, L. Que, Jr., E. Rybak-Akimova, L. Casella, X. Ribas, M. Costas, Chem. Eur. J. 2008, 14, 3535.
  • 26
    • 0004134404 scopus 로고
    • Eds, K. Karlin, Z. Tyeklár, Chapman and Hall, New York
    • B. L. Feringa in Bioinorganic Chemistry of Copper (Eds.: K. Karlin, Z. Tyeklár), Chapman and Hall, New York, 1993, pp. 306-324.
    • (1993) Bioinorganic Chemistry of Copper , pp. 306-324
    • Feringa, B.L.1
  • 36
    • 55049119298 scopus 로고    scopus 로고
    • The B3LYP/G functional corresponds to that implemented in the Gaussian 03 program: a A. D. Becke, J. Chem. Phys. 1993, 98, 5648;
    • The B3LYP/G functional corresponds to that implemented in the Gaussian 03 program: a) A. D. Becke, J. Chem. Phys. 1993, 98, 5648;
  • 40
    • 55049123335 scopus 로고    scopus 로고
    • F. Neese, ORCA-An ab initio, DFT and semiempirical SCF-MO package, Version 2. 5. 00, Universität Bonn, Germany, 2006
    • F. Neese, ORCA-An ab initio, DFT and semiempirical SCF-MO package, Version 2. 5. 00, Universität Bonn, Germany, 2006.
  • 48
    • 55049123654 scopus 로고    scopus 로고
    • A. Klamt in Encylopedia of Computational Chemistry (Eds.: N. L. Allinger, T. Clark, J. Gasteiger, P. Kollmann, H. F. Schaefer III, P. von R. Schleyer, P. R. Schreiner), Wiley, Chichester, 1998, p. 604.
    • b) A. Klamt in Encylopedia of Computational Chemistry (Eds.: N. L. Allinger, T. Clark, J. Gasteiger, P. Kollmann, H. F. Schaefer III, P. von R. Schleyer, P. R. Schreiner), Wiley, Chichester, 1998, p. 604.
  • 49
    • 55049085850 scopus 로고    scopus 로고
    • We successfully repeated some of the transition-state searches with identical results (to numerical accuracy) with the extended geometry optimization routines implemented in the most recent ORCA Version 2.6.35, which was made available to us by the Bonn developer group after this project was about to be finished
    • We successfully repeated some of the transition-state searches with identical results (to numerical accuracy) with the extended geometry optimization routines implemented in the most recent ORCA Version 2.6.35, which was made available to us by the Bonn developer group after this project was about to be finished.
  • 50
    • 55049092354 scopus 로고    scopus 로고
    • Gaussian 03, Revision B3, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. J. A. Montgomery, T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M, Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, X E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challa
    • Gaussian 03, Revision B3, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. J. A. Montgomery, T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M, Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, X E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople, Gaussian, Inc, Pittsburgh, PA, 2003.
  • 57
    • 55049089875 scopus 로고    scopus 로고
    • K. Yamaguchi, Y. Takahara, T. Fueno in Applied Quantum Chemistry (Eds.: V. H. Smith, Jr., H. F. Schaefer III, K. Morokuma), Reidel, Dordrecht, 1986, p. 155.
    • a) K. Yamaguchi, Y. Takahara, T. Fueno in Applied Quantum Chemistry (Eds.: V. H. Smith, Jr., H. F. Schaefer III, K. Morokuma), Reidel, Dordrecht, 1986, p. 155.
  • 61
    • 36148941040 scopus 로고    scopus 로고
    • I. de P. R. Moreira, R. Costa, M. Filatov, F. Illas, J. Chem. Theory Comput. 2007, 3, 764;
    • b) I. de P. R. Moreira, R. Costa, M. Filatov, F. Illas, J. Chem. Theory Comput. 2007, 3, 764;
  • 62
    • 33748104041 scopus 로고    scopus 로고
    • F. Illas, I. de P. R. Moreira, J. M. Bofill, M. Filatov, Theor. Chem. Acc. 2006, 116, 587;
    • c) F. Illas, I. de P. R. Moreira, J. M. Bofill, M. Filatov, Theor. Chem. Acc. 2006, 116, 587;
  • 66
    • 33748652739 scopus 로고    scopus 로고
    • J. Cano, E. Ruiz, P. Alemany, F. Lloret, S. Alvarez, J. Chem. Soc. Dalton Trans. 1999, 1669;
    • g) J. Cano, E. Ruiz, P. Alemany, F. Lloret, S. Alvarez, J. Chem. Soc. Dalton Trans. 1999, 1669;
  • 80
    • 55049111428 scopus 로고    scopus 로고
    • Compare Chapter 8 in W. Koch, M. C. Holthausen, A Chemist's Guide to Density Functional Theory, 2nd ed., Wiley-VCH, Weinheim, 2001.
    • Compare Chapter 8 in W. Koch, M. C. Holthausen, A Chemist's Guide to Density Functional Theory, 2nd ed., Wiley-VCH, Weinheim, 2001.
  • 85
    • 34347264135 scopus 로고    scopus 로고
    • A. Company, L. Gomez, R. Mas-Balleste, I. V. Korendovych, X. Rabas, A. Poater, T. Parella, X. Fontodora, J. Benet-Buchholz, M. Sola, L. Que, Jr., E.V. Rybak-Akimova, M. Costas, Inorg. Chem. 2007, 46, 4997.
    • A. Company, L. Gomez, R. Mas-Balleste, I. V. Korendovych, X. Rabas, A. Poater, T. Parella, X. Fontodora, J. Benet-Buchholz, M. Sola, L. Que, Jr., E.V. Rybak-Akimova, M. Costas, Inorg. Chem. 2007, 46, 4997.
  • 92
    • 0037438524 scopus 로고    scopus 로고
    • P. Chen, D. E. Root, C. Campochiaro, K. Fujisawa, E. I. Solomon, J. Am. Chem. Soc. 2003, 125, 466;
    • d) P. Chen, D. E. Root, C. Campochiaro, K. Fujisawa, E. I. Solomon, J. Am. Chem. Soc. 2003, 125, 466;
  • 111
    • 0344236526 scopus 로고    scopus 로고
    • R. T. Skodje, D. G. Truhlar, J. Phys. Chem. 1981, 85, 624.
    • R. T. Skodje, D. G. Truhlar, J. Phys. Chem. 1981, 85, 624.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.