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Volumn 17, Issue 9, 2011, Pages 2666-2677

1,2-diphosphaacenaphthene 1,2-dications: Synthetic, stereochemical and computational study of the stabilising role of naphthalene-1,8-diyl backbone

Author keywords

1,2 dication; organic synthesis; organophosphorus; peri substitution

Indexed keywords

ALKYLATION; SINGLE CRYSTALS;

EID: 79951783257     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201002259     Document Type: Article
Times cited : (23)

References (53)
  • 4
    • 79951684766 scopus 로고    scopus 로고
    • DOI: 10.1002/chem.201001750
    • For a recent review on Group15 and 16 peri-substituted naphthalenes, see: P. Kilian, F.R. Knight, J.D. Woollins, Chem. Eur. J. DOI: 10.1002/chem. 201001750.
    • Chem. Eur. J.
    • Kilian, P.1    Knight, F.R.2    Woollins, J.D.3
  • 20
    • 0037131447 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2002, 41, 3897-3898.
    • (2002) Angew. Chem. Int. Ed. , vol.41 , pp. 3897-3898
  • 21
    • 79951806083 scopus 로고    scopus 로고
    • note
    • 31PNMR spectra of the mixtures after reaction.
  • 22
    • 79951801721 scopus 로고    scopus 로고
    • note
    • Note that only very small stoichiometric excess of the methylating agent was necessary to achieve good yield by using these conditions.
  • 23
    • 85052275758 scopus 로고    scopus 로고
    • note
    • -].
  • 25
    • 79951799848 scopus 로고    scopus 로고
    • For a definition of splay angle see footnote of Table 1.
    • For a definition of splay angle see footnote of Table1.
  • 32
    • 79951775448 scopus 로고    scopus 로고
    • note
    • Proper sampling of the expected plethora of possible ion pairs (contact or solvent-shared) would require, e.g., large-scale molecular dynamics simulations, which are beyond the scope of this study.
  • 33
    • 37549006850 scopus 로고
    • At the DFT level employed, the tbp character of the F-bearing P atom is clearly apparent, both from the optimised C-PF bond angles (ca. 94°) and a Wiberg bond index () of 0.48 between both P atoms, indicative of substantial covalent overlap.
    • At the DFT level employed, the tbp character of the F-bearing P atom is clearly apparent, both from the optimised C-PF bond angles (ca. 94°) and a Wiberg bond index (, K. B. Wiberg, Tetrahedron 1968, 24, 1083) of 0.48 between both P atoms, indicative of substantial covalent overlap.
    • (1968) Tetrahedron , vol.24 , pp. 1083
    • Wiberg, K.B.1
  • 36
    • 79951801557 scopus 로고    scopus 로고
    • note
    • -1.
  • 37
    • 85052278587 scopus 로고    scopus 로고
    • note
    • -1.
  • 41
    • 79951785974 scopus 로고    scopus 로고
    • For a definition of splay angle see footnote of Table3.
    • For a definition of splay angle see footnote of Table3.
  • 47
    • 79951785634 scopus 로고    scopus 로고
    • as implemented in G03
    • as implemented in G03


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.