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Volumn 127, Issue 8, 2005, Pages 2425-2432

Investigation of a putative Möbius aromatic hydrocarbon. The effect of benzannelation on Möbius [4n]annulene aromaticity

Author keywords

[No Author keywords available]

Indexed keywords

ANNEALING; CHEMICAL BONDS; DERIVATIVES; MAGNETIC SUSCEPTIBILITY; SYNTHESIS (CHEMICAL);

EID: 14744305056     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0458165     Document Type: Article
Times cited : (96)

References (66)
  • 2
    • 0347357624 scopus 로고    scopus 로고
    • (a) Lemal, D. Nature 2003, 426, 776.
    • (2003) Nature , vol.426 , pp. 776
    • Lemal, D.1
  • 3
    • 14744284938 scopus 로고    scopus 로고
    • (b) Chem. Eng. News 2003, December 22, 31.
    • (2003) Chem. Eng. News , vol.DECEMBER 22 , pp. 31
  • 8
    • 14744304918 scopus 로고    scopus 로고
    • note
    • + as a Möbius aromatic was computationally revealed by Schleyer and co-workers.
  • 12
    • 14744294867 scopus 로고    scopus 로고
    • Dissertation, University of Erlangen-Nuremberg
    • (b) Mauksch, M. Dissertation, University of Erlangen-Nuremberg. 1999.
    • (1999)
    • Mauksch, M.1
  • 13
    • 0035353481 scopus 로고    scopus 로고
    • special editor
    • For recent reviews, see: (a) Schleyer, P. v. R. (special editor) Chem. Rev. 2001, 101, 1115-1566.
    • (2001) Chem. Rev. , vol.101 , pp. 1115-1566
    • Schleyer, P.V.R.1
  • 62
    • 14744291344 scopus 로고    scopus 로고
    • note
    • opt value of 1.400 Å, rather than 1.388 Å as specified in ref 13. In addition, the reported HOMA value of 0.35 apparently was computed for the entire molecule (including all the benzene bonds) and not just the [16]annulene core.
  • 63
    • 14744284703 scopus 로고    scopus 로고
    • note
    • 1 structure ca. 7 kcal/mol lower. These structures showed little evidence for aromaticity and were not pursued further.
  • 64
    • 14744297702 scopus 로고    scopus 로고
    • note
    • 2 symmetry.
  • 65
    • 14744300869 scopus 로고    scopus 로고
    • note
    • Benzenes were placed at positions where the HCCH dihedrals in the parent system were close to 0° to ensure that any loss of delocalization was due to the "Clar effect" rather than to changes in the dihedral angles.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.