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Volumn , Issue 32, 2008, Pages 5024-5028

Heterobimetallic bisphosphonate titanium complexes: Carbene-like carbanions?

Author keywords

Bisphosphonate; Carbene; Density functional theory (DFT); Natural bond orbital (NBO) analysis; Titanium

Indexed keywords

CARBON; CHEMICAL BONDS; DESIGN FOR TESTABILITY; NIOBIUM OXIDE; ORGANOMETALLICS;

EID: 56349171763     PISSN: 14341948     EISSN: 10990682     Source Type: Journal    
DOI: 10.1002/ejic.200800747     Document Type: Article
Times cited : (6)

References (42)
  • 2
    • 0037131477 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2002, 41, 3818-3822;
    • (2002) Angew. Chem. Int. Ed , vol.41 , pp. 3818-3822
  • 4
    • 0037020335 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2002, 41, 3532-3554;
    • (2002) Angew. Chem. Int. Ed , vol.41 , pp. 3532-3554
  • 6
    • 0037020416 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2002, 41, 3604-3609;
    • (2002) Angew. Chem. Int. Ed , vol.41 , pp. 3604-3609
  • 8
    • 0037006849 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2002, 41, 1162-1167;
    • (2002) Angew. Chem. Int. Ed , vol.41 , pp. 1162-1167
  • 9
    • 4544311517 scopus 로고    scopus 로고
    • e) J. P. Spatz, Angew. Chem. 2002, 114, 3507-3510;
    • (2002) Angew. Chem , vol.114 , pp. 3507-3510
    • Spatz, J.P.1
  • 10
    • 85153213550 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2002, 41, 3510-3512;
    • (2002) Angew. Chem. Int. Ed , vol.41 , pp. 3510-3512
  • 15
    • 0035800360 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2001, 40, 2890-2893;
    • (2001) Angew. Chem. Int. Ed , vol.40 , pp. 2890-2893
  • 26
    • 0033577907 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 1999, 38, 1483-1484;
    • (1999) Angew. Chem. Int. Ed , vol.38 , pp. 1483-1484
  • 28
    • 85153190547 scopus 로고    scopus 로고
    • X-ray crystal data for 3: C68H162Cl 2Li6O29P4Ti4, Mr, 1748.15, monoclinic, space group C 2/c, a, 30.5054(7) Å, b, 17.9005(5) Å, c, 21.8176(4) Å, α, 90°, β, 114.4919(14)°, γ, 90°, V, 10841.8 Å3, Z, 4, F(000, 3768,p, 1.071 kg m-3, μ, 0.453 mm-1, crystal dimensions, 0.10 X 0.22 X 0.32 mm, T, 193 K, radiation Mo-K α (λ, 0.71073 Å, scan type ω/Θ, Θmax, 27.47°, number of measured reflections: 44530, number of independent reflections: 21946, number of reflections in refinement: 13193, I > 3.00σI, number of parameters: 529, R, 0.0682, Rw, 0.0359, weighting scheme ω·[1, δF/6σF
    • [8] Scattering factors have been taken from the International Tables, vol. IV, Table 2.2B. CCDC-204453 contains the supplementary crystallographic data for compound 3. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data_request/cif.
  • 37
    • 85153178757 scopus 로고    scopus 로고
    • Larger differences between the minimized structure and the crystal structure exist for peripheral sites, e.g, rotation around the bonds in the OiPr and OEt groups occur due to the lack of crystal packing effects in the model system 4
    • Larger differences between the minimized structure and the crystal structure exist for peripheral sites, e.g., rotation around the bonds in the OiPr and OEt groups occur due to the lack of crystal packing effects in the model system 4.
  • 39
    • 85153209993 scopus 로고    scopus 로고
    • MOLEKEL 5.3, P. Flükiger, H. P. Lüthi, S. Portmann, J. Weber, Swiss National Supercomputing Centre CSCS, Manno, Switzerland, 2008.
    • MOLEKEL 5.3, P. Flükiger, H. P. Lüthi, S. Portmann, J. Weber, Swiss National Supercomputing Centre CSCS, Manno, Switzerland, 2008.
  • 40
    • 85153235570 scopus 로고    scopus 로고
    • 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
    • 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, Gaussian03, Revision B.05, Gaussian, Inc., Wallingford CT, USA, 2004


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