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Volumn 46, Issue 17, 2007, Pages 3084-3086

An unexpected pathway in the cage opening and aggregation of P4

Author keywords

Alkali metals; Hypersilyl ligands; Phosphorus; Potassium; Structure elucidation

Indexed keywords

AGGLOMERATION; NEGATIVE IONS; NUCLEOPHILES; REACTION KINETICS; SUBSTITUTION REACTIONS;

EID: 34250815132     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200604267     Document Type: Article
Times cited : (43)

References (29)
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    • 7 fragments: W. Hönle, H. G. von Schnering, A. Schmidpeter, G. Burget, Angew. Chem. 1984, 96, 796;
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    • 7 fragments: G. Fritz, G. Layher, H. Groesmann, D. Hanke, C. Persau, Z. Anorg. Allg. Chem. 1991, 594, 36;
    • 7 fragments: G. Fritz, G. Layher, H. Groesmann, D. Hanke, C. Persau, Z. Anorg. Allg. Chem. 1991, 594, 36;
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    • Suite 370, Irvine, CA 92612, USA. http://wavefunction.com/). This DFT approach utilizes a perturbative Becke-Perdew (pBP86) procedure (A. D. Becke
    • DFT calculations (LSDA/pBP86/DN*) were carried out with Spartan Pro Wavefunction Inc, 18401 Von Karman Avenue
    • DFT calculations (LSDA/pBP86/DN*) were carried out with Spartan Pro (Wavefunction Inc., 18401 Von Karman Avenue, Suite 370, Irvine, CA 92612, USA. http://wavefunction.com/). This DFT approach utilizes a perturbative Becke-Perdew (pBP86) procedure (A. D. Becke, Phys. Rev. A 1988, 38, 3089;
    • (1988) Phys. Rev. A , vol.38 , pp. 3089
  • 26
    • 5944261746 scopus 로고    scopus 로고
    • J. P. Perdew, Phys. Rev. B 1986, 33, 8822 within the local spin density approximation LSDA. Instead of Gaussian basis sets, Spartan Pro utilizes atomic solutions supplemented with d-type functions for heavy atoms, including numerical polarization (DN*).
    • J. P. Perdew, Phys. Rev. B 1986, 33, 8822) within the local spin density approximation LSDA. Instead of Gaussian basis sets, Spartan Pro utilizes atomic solutions supplemented with d-type functions for heavy atoms, including numerical polarization (DN*).
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    • 34250847914 scopus 로고    scopus 로고
    • Crystal data for 2: C50H118K2O 14P8Si8, Mr= 1494.12, monoclinic, space group C2/c, Z, 2, a, 24.633(5, b, 27.543(6, c, 31.052(6) Å, β, 111.49(3)°, V, 19603(7) Å3, μ(MoKα, 0.366 mm-1, ρcalcd, 1.013 Mg m-3, Z, 8, T, 180(2) K. Data were collected on a Nonius KappaCCD diffractometer. Of a total of 26212 reflections collected, 8661 were unique (R int, 0.107, The structure was solved by direct methods and refined by full-matrix least squares on F2 G. M. Sheldrick, SHELX-97, Göttingen, Germany, 1997, Relatively high displacement parameters indicated considerable rotational disorder of the silyl groups and conformational disorder of the counterion. The two Si atoms and eleven C atoms of the silyl groups we
    • 8 dianion are well-established. CCDC-623921 contains 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.
  • 28
    • 0000016277 scopus 로고    scopus 로고
    • Search of the Cambridge Crystallography Data Base, using VISTA; I. J. Bruno, J. C. Edgington, M. Kessler, C. F. Macrae, P. McCabe, J. Pearson, R. Taylor, Acta Crystallogr. Sect. B 2002, 58, 389.
    • Search of the Cambridge Crystallography Data Base, using VISTA; I. J. Bruno, J. C. Edgington, M. Kessler, C. F. Macrae, P. McCabe, J. Pearson, R. Taylor, Acta Crystallogr. Sect. B 2002, 58, 389.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.