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Volumn 646, Issue 1-2, 2002, Pages 262-270

Very strong anionic homoaromaticity in (deloc-1,3,4)-1-sila-3, 4-diboracyclopentane-1-ides, the importance of the energy of the reference system for homoaromatic stabilization energies

Author keywords

Ab initio calculations; Anions; Boron; Homoaromaticity; Silicon

Indexed keywords

ANION; AROMATIC COMPOUND; BORON DERIVATIVE; CYCLOPENTANE DERIVATIVE; LITHIUM; OXYGEN; SILICON; SOLVENT;

EID: 0036499893     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-328X(01)01435-8     Document Type: Article
Times cited : (19)

References (29)
  • 1
    • 0035353517 scopus 로고    scopus 로고
    • For an up-to-date review on homoaromaticity, see references therein
    • (2001) Chem. Rev. , vol.101 , pp. 1185
    • Williams, R.V.1
  • 19
    • 0008609847 scopus 로고    scopus 로고
    • For comparison: According to an NBO analysis, the 3c2e-bond in 3u is occupied by 1.93 electrons, 405 assigned to Si and 30% each to B
  • 20
    • 0008580479 scopus 로고    scopus 로고
    • -1 and a 3c3e bond with 1.82 electrons( 54%) at Si, 23% at each B)
  • 21
    • 0008548372 scopus 로고    scopus 로고
    • The number of charged species must not alter otherwise electrostatics govern the energetic balance of the equation. the ammonium group models the formal positive charge at the Si center of 3u*, but does not allow decolization which is present in 3u**
  • 22
    • 0008549391 scopus 로고    scopus 로고
    • In 3a the angle sum at Si1 is 355.5°, in 3u it is 358.2°
  • 23
    • 0008584034 scopus 로고    scopus 로고
    • -1, the lower limit determined for the stabilization of 3u by cyclic delocalization
  • 25
    • 0008611117 scopus 로고    scopus 로고
    • 2Sn bond. Instead, there are a lone pair at Sn (with 75% s character) and the two The latter can be understood as the consequence of very strong C-Sn-hyperconjugated due to the negative charge at tin. Reluctance to decrease the s character of a lone pair at a heavy main group center 3u shows no homoaromatic stabilization, which requires a planar tin center
  • 28
    • 0008549076 scopus 로고    scopus 로고
    • SHEXLXS-97, Program for the solution of crystal structures, University of Göttingen
    • (1997)
    • Sheldrick, G.M.1
  • 29
    • 0008550513 scopus 로고    scopus 로고
    • SHELXL97, Program for the refinement of crystal structures, University of Göttingen
    • (1997)
    • Shelrick, G.M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.