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Volumn 15, Issue 3, 2009, Pages 593-596

Metal-tuned photochemistry of metallocene-substituted chromium(0)-carbene complexes

Author keywords

Carbene ligands; Density functional calculations; Lactams; Metallocenes; Photochemistry

Indexed keywords

AMIDES; CHROMIUM; IRON COMPOUNDS; LIGANDS; ORGANOMETALLICS;

EID: 58449089746     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200802005     Document Type: Article
Times cited : (19)

References (30)
  • 5
    • 58449108141 scopus 로고    scopus 로고
    • Handbook of Photochemistry and Photobiology, 1 (Ed.: H. S. Nalwa), American Scientific. Stevenson Ranch, 2003;
    • b) Handbook of Photochemistry and Photobiology, Vol. 1 (Ed.: H. S. Nalwa), American Scientific. Stevenson Ranch, 2003;
  • 13
    • 0000887836 scopus 로고
    • Reviews: a, Eds, E. W. Abel, F. G. A. Stone, G. Wilkinson, Pergamon, Oxford
    • Reviews: a) W. D. Wulff in Comprehensive Organometaltic Chemistry II, Vol. 12 (Eds.: E. W. Abel, F. G. A. Stone, G. Wilkinson), Pergamon, Oxford, 1995, p. 470;
    • (1995) Comprehensive Organometaltic Chemistry II , vol.12 , pp. 470
    • Wulff, W.D.1
  • 14
    • 0000951659 scopus 로고
    • Eds, E. W. Abel, F. G. A. Stone, G. Wilkinson, Pergamon, Oxford
    • b) L. S. Hegedus in Comprehensive Organometallic Chemistry 11, Vol. 12 (Eds.: E. W. Abel, F. G. A. Stone, G. Wilkinson), Pergamon, Oxford. 1995, p. 549;
    • (1995) Comprehensive Organometallic Chemistry 11 , vol.12 , pp. 549
    • Hegedus, L.S.1
  • 20
    • 58449115567 scopus 로고    scopus 로고
    • All calculations were carried out with the Gaussian 03 (see Supporting Information for full details) suite of programs at the B3LYP level uB3LYP for triplet species, Gaussian03, Revision D.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr, 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, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken. 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. Babo
    • a) All calculations were carried out with the Gaussian 03 (see Supporting Information for full details) suite of programs at the B3LYP level (uB3LYP for triplet species): Gaussian03, Revision D.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., 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, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken. 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., Wallingford CT, 2004;
  • 22
    • 0345491105 scopus 로고    scopus 로고
    • using the double-ξ quality plus polarization def2-SVP basis set for all atoms
    • c) C. Lee, W. Yang, R. G. Parr, Phys. Rev. B 1998, 37, 785, using the double-ξ quality plus polarization def2-SVP basis set for all atoms.
    • (1998) Phys. Rev. B , vol.37 , pp. 785
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 23
    • 26244461462 scopus 로고    scopus 로고
    • F. Weigend, R. Alhrichs. Phys. Chem. Chem. Phys. 2005, 7, 3297; in order to include the effect exerted by the solvent (MeCN), the same level of theory was used in combination with the polarizable continuum model (PCM) method and the UAKS set of radii (B3LYP-PCM),
    • d) F. Weigend, R. Alhrichs. Phys. Chem. Chem. Phys. 2005, 7, 3297; in order to include the effect exerted by the solvent (MeCN), the same level of theory was used in combination with the polarizable continuum model (PCM) method and the UAKS set of radii (B3LYP-PCM),
  • 29
    • 36449002769 scopus 로고    scopus 로고
    • Our values are in agreement with previous reported data, see: a C. Daul, H. U. Gudel, J. Weber, J. Chem. Phys. 1993, 98, 4023;
    • Our values are in agreement with previous reported data, see: a) C. Daul, H. U. Gudel, J. Weber, J. Chem. Phys. 1993, 98, 4023;


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