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Volumn 43, Issue 12, 2004, Pages 1543-1546

The X-ray structure of a vinyl cation

Author keywords

Carbocations; Computer chemistry; Hyperconjugation; Silicon; X ray diffraction

Indexed keywords

CHARACTERIZATION; SILICON CARBIDE; THERMODYNAMICS; X RAY ANALYSIS;

EID: 4544280097     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200352986     Document Type: Article
Times cited : (99)

References (43)
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    • (1997) Dicoordinated Carbocations
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    • note
    • 6 atom. The slight over bromination of the carborane is figured into the X-ray model and solution, thus improving the accuracy and R value. CCDC-220463 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge via www.ccdc.cam.ac.uk/conts/retrieving.html (or from the Cambridge Crystallographic Data Centre, 12, Union Road, Cambridge CB21EZ, UK; fax: (+ 44) 1223-336-033; or deposit@ccdc.cam.ac.uk).
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    • b) For a review: Y. Apeloig, T. Müller in Dicoordinated Carbocations (Eds.: Z. Rappoport, P. J. Stang), Wiley, New York, 1997, chap. 2, p. 9.
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    • note
    • β bond lengths of 197.3 pm have been calculated.[8]
  • 29
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    • -1 is scaled with the global scaling factor of 0.963 suggested by Rauhut and Pulay. G. Rauhut, P. Pulay, J. Phys. Chem. 1995, 99, 3093.
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    • note
    • 2) = 39.9 ppm.
  • 36
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    • α), the coupled-cluster method must be applied, which is, however, for 1 technically not feasible. a) J. F. Stanton, J. Gauss, H.-U. Siehl, Chem. Phys. Lett. 1996, 262, 183;
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  • 38
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    • note
    • exp + (3.50 ± 0.53); R = 0.99991, 7 data points, for details see Supporting Information.
  • 39
    • 4544221433 scopus 로고    scopus 로고
    • note
    • β) = 3.2 Hz.
  • 40
    • 4544335927 scopus 로고    scopus 로고
    • note
    • 1).
  • 43
    • 4544367363 scopus 로고    scopus 로고
    • note
    • exp) is available.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.