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Volumn 47, Issue 24, 2008, Pages 4584-4587

The homoleptic sandwich anion [Co(P2C2tBu 2)2]-: A versatile building block for phosphaorganometallic chemistry

Author keywords

Cobalt; Density functional calculations; Hydrides; Phosphorus; Sandwich complexes

Indexed keywords

CHEMICAL REACTIONS;

EID: 47149086804     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200800813     Document Type: Article
Times cited : (47)

References (50)
  • 11
    • 53649109873 scopus 로고    scopus 로고
    • Transition Metal Alkyne Complexes: Transition Metal-Catalyzed Cyclotrimerization: D. B. Grotjahn in Comprehensive Organometallic Chemistry II, 12 (Eds.: E. W. Abel, F. G. A. Stone, G. Wilkinson, L. S. Hegedus), Pergamon, Oxford, 1995, pp. 741-770;
    • c) "Transition Metal Alkyne Complexes: Transition Metal-Catalyzed Cyclotrimerization": D. B. Grotjahn in Comprehensive Organometallic Chemistry II, Vol. 12 (Eds.: E. W. Abel, F. G. A. Stone, G. Wilkinson, L. S. Hegedus), Pergamon, Oxford, 1995, pp. 741-770;
  • 13
    • 53649106724 scopus 로고    scopus 로고
    • Selected examples: a C. Topf, T. Clark, F. W. Heinemann, M. Hennemann, S. Kummer, H. Pritzkow, U. Zenneck, Angew. Chem. 2002, 114, 4221;
    • Selected examples: a) C. Topf, T. Clark, F. W. Heinemann, M. Hennemann, S. Kummer, H. Pritzkow, U. Zenneck, Angew. Chem. 2002, 114, 4221;
  • 26
    • 53649097607 scopus 로고    scopus 로고
    • X-ray data were collected on a Nonius Kappa CCD diffractometer with rotating anode (graphite monochromator, λ, 0.71073 Å) up to a resolution of (sin θ/λ)max, 0.65 Å-1 at a temperature of 150 K. The structures were solved by direct methods (SHELXS-97)[20] and refined with SHELXL-97[20] against F2 of all reflections. Non-hydrogen atoms were refined with anisotropic displacement parameters. Hydrogen atoms were introduced in calculated positions and refined with a riding model. Geometry calculations and checking for higher symmetry was performed with the PLATON program, 21] 1: [C20H40KO8](C 20H36CoP4, Mw, 906.92, red block, 0.48 x 0.30 x 0.21 mm3, monoclinic, P2 1/c (no. 14, a, 10.2813(9, b, 23.7637(2, c, 19.9146(9) Å, β
    • 3. CCDC-676286 (1), -676287 (2), -676288 (3), and -676289 (4) contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data_request/cif.
  • 32
    • 53649088035 scopus 로고    scopus 로고
    • 2D](D- 2) was prepared for comparison and found to display spectroscopic properties identical to those of H-2; see the Supporting Information for details.
    • 2D](D- 2) was prepared for comparison and found to display spectroscopic properties identical to those of H-2; see the Supporting Information for details.
  • 33
    • 53649089651 scopus 로고    scopus 로고
    • Geometry optimizations and frequency calculations were performed with the Gaussian 03 suite of programs (Gaussian 03, Revision C.02, M. J. Frisch et al., Gaussian, Inc., Wallingford CT, 2004),
    • Geometry optimizations and frequency calculations were performed with the Gaussian 03 suite of programs (Gaussian 03, Revision C.02, M. J. Frisch et al., Gaussian, Inc., Wallingford CT, 2004),
  • 34
    • 4243943295 scopus 로고    scopus 로고
    • using the exchange-correlation potential PBE (J. P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 1996, 77, 3865),
    • using the exchange-correlation potential PBE (J. P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 1996, 77, 3865),
  • 35
    • 49049133260 scopus 로고    scopus 로고
    • the SDD basis set for cobalt (P. Fuentealba, H. Preuss, H. Stoll, L. von Szentpaly, Chem. Phys. Lett. 1982, 89, 418), and the 6-311G(d,p) basis set for all other atoms; see the Supporting Information for details.
    • the SDD basis set for cobalt (P. Fuentealba, H. Preuss, H. Stoll, L. von Szentpaly, Chem. Phys. Lett. 1982, 89, 418), and the 6-311G(d,p) basis set for all other atoms; see the Supporting Information for details.
  • 36
    • 53649085001 scopus 로고    scopus 로고
    • This assumption is supported by the calculated 1H and 31P NMR chemical shifts of 2a: δ(1H, 2.4 (CoH, 0.9 (tBu, 1.4 ppm (tBu, δ31P, 179, 32, and 123 ppm. These values are in good agreement with those observed experimentally at -80 °C. The hydrogen atom interacting with cobalt displays a characteristic high-field shift while the most shielded signal in the 31P NMR spectrum is assigned to the protonated phosphorus atom
    • 31P NMR spectrum is assigned to the protonated phosphorus atom.
  • 45
    • 53649086253 scopus 로고    scopus 로고
    • Our assignment is supported by the calculated 31P NMR chemical shifts of 4: δ(31P, 61 (P3, 45 (P1, 51 (P4, 54 (P2, 67 ppm P5, see the Supporting Information for details
    • 31P) = -61 (P3), +45 (P1), +51 (P4), +54 (P2), +67 ppm (P5); see the Supporting Information for details.
  • 49
    • 0344214714 scopus 로고    scopus 로고
    • University of Göttingen, Germany
    • G. M. Sheldrick, Twinabs-V1.05. University of Göttingen, Germany, 2005.
    • (2005) Twinabs-V1.05
    • Sheldrick, G.M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.