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Volumn 17, Issue 9, 1998, Pages 1634-1636

Skeletal bonding in closo-1,5-X2B3Y3 (X = N, CH, P, SiH; Y = NH2, CH3, H) cages is dictated by Boron substituents

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EID: 0000511424     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om9709594     Document Type: Article
Times cited : (10)

References (36)
  • 1
    • 0004135609 scopus 로고
    • with comments from Schleyer, P. v. R. Plenum Press: New York
    • A classical species can be adequately represented by a single Lewis structure involving simple 2c-2e bonds. A nonclassical species, on the other hand, cannot be represented adequately by a single Lewis structure. Nonclassical bonding is characterized by electron sharing or delocalization among three or more nuclei, rather than just two. Brown, H. C. (with comments from Schleyer, P. v. R.) The Nonclassical Ion Problem; Plenum Press: New York, 1977, pp 40, 49.
    • (1977) The Nonclassical Ion Problem , pp. 40
    • Brown, H.C.1
  • 5
    • 0003500644 scopus 로고
    • Liebman, J. F., Greenberg, A., Williams, R. E., Eds.; VCH: New York, and references therein
    • (d) Beaudet, R. A. In Advances in Boron and the Boranes; Liebman, J. F., Greenberg, A., Williams, R. E., Eds.; VCH: New York, 1988, and references therein,
    • (1988) Advances in Boron and the Boranes
    • Beaudet, R.A.1
  • 25
    • 11744267648 scopus 로고    scopus 로고
    • note
    • (a) The nucleus-independent chemical shift (NICS) is defined as the negative of the absolute magnetic shielding. Computed, for example, at the geometrical center of a ring (cage) molecule, significant negative NICS values imply diatropic ring currents and, hence, aromaticity. Paratropic ring currents are characterized by positive NICS values at or above ring centers,
  • 33
    • 11744367674 scopus 로고    scopus 로고
    • note
    • s) is a classic example of hyperconjugation. Similarly, the hyperconjugation in 1 or 2 and 4 involves the interaction between the formally empty p-orbital on boron, B(p), in the equatorial plane of the trigonal bipyramid and the neighboring B-X bonds (B-X⋯B(p)).
  • 35
    • 11744360221 scopus 로고    scopus 로고
    • note
    • 3, they are 0.198 (N), 0.310 (CH), 0.995 (P), and 0.109 (SiH), respectively.
  • 36
    • 0003495717 scopus 로고
    • Oxford University Press: Oxford, U.K.
    • Bader, R. F. W. Atoms in Molecules; Oxford University Press: Oxford, U.K., 1994.
    • (1994) Atoms in Molecules
    • Bader, R.F.W.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.