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Volumn 1, Issue 1, 2003, Pages 157-162

Through-space interactions between face-to-face, center-to-edge oriented arenes: Importance of polar-π effects

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHARGE TRANSFER; CONFORMATIONS; ELECTRONS; ELECTROSTATICS; MOLECULAR ORIENTATION; MOLECULAR STRUCTURE; QUANTUM THEORY; SYNTHESIS (CHEMICAL);

EID: 0042035613     PISSN: 14770520     EISSN: None     Source Type: Journal    
DOI: 10.1039/b208871a     Document Type: Article
Times cited : (118)

References (95)
  • 12
  • 43
    • 33845280756 scopus 로고
    • The preference for the edge-to-face orientation has been demonstrated for gaseous, liquid, and crystalline benzene: (a) X. Shi and L. S. Bartell, J. Chem. Phys., 1988, 92, 5667-5673
    • (1988) J. Chem. Phys. , vol.92 , pp. 5667-5673
    • Shi, X.1    Bartell, L.S.2
  • 64
    • 0042056574 scopus 로고    scopus 로고
    • For recent examples of molecular recognition between arenes based on an edge-to-face interaction, see: (a) A. P. Poisson and C. A. Hunter, J. Chem. Soc., Chem. Commun., 1996, 1723-1724
    • (1996) J. Chem. Soc., Chem. Commun. , pp. 1723-1724
    • Poisson, A.P.1    Hunter, C.A.2
  • 74
    • 0042056573 scopus 로고    scopus 로고
    • note
    • 1-Bromo-2 methylnapthalene can be used in excess because it produces little of the homocoupling under these conditions.
  • 84
    • 0002429680 scopus 로고    scopus 로고
    • (b) V. Farina, Pure Appl. Chem., 1996, 68, 73-78 and references therein.
    • (1996) Pure Appl. Chem. , vol.68 , pp. 73-78
    • Farina, V.1
  • 86
  • 87
    • 0001304511 scopus 로고
    • For a review on the use of 2D EXSY NMR spectroscopy to measure chemical dynamics, see: C. L. Perrin and T. J. Dwyer, Chem. Rev., 1990, 935-967.
    • (1990) Chem. Rev. , vol.90 , pp. 935-967
    • Perrin, C.L.1    Dwyer, T.J.2
  • 88
    • 0042056572 scopus 로고    scopus 로고
    • note
    • -1.
  • 90
    • 0000189651 scopus 로고
    • note
    • A. D. Becke, J. Chem. Phys., 1993, 98, 5648-5652. Structural computations were performed using the hybrid density functional method, B3LYP; Becke's 3 parameter functional plus the nonlocal correlation of Lee-Yang-Parr with both local and nonlocal terms. Dunning's DZV(2d.p) double-ζ valence basis set was employed. Single point energy computations were performed on optimized structures using MP2 dynamic correlation treatment for superior energetic analysis.
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648-5652
    • Becke, A.D.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.