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Volumn 104, Issue 32, 2000, Pages 7593-7599

The nature of tunnel splitting mediated by stacked aromatics

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; BENZENE; CALCULATIONS; CHEMICAL BONDS; ELECTRON ENERGY LEVELS; ELECTRON TUNNELING; MOLECULAR ORIENTATION;

EID: 0034251425     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp994372+     Document Type: Article
Times cited : (15)

References (64)
  • 19
    • 0033545293 scopus 로고    scopus 로고
    • Ratner, M. Nature 1999, 397, 480-481.
    • (1999) Nature , vol.397 , pp. 480-481
    • Ratner, M.1
  • 21
    • 85037453621 scopus 로고    scopus 로고
    • (7) In the case of 1(n), n refers to the number of benzene rings forming the bridge.
    • , vol.7 , pp. 1
  • 36
    • 85037481740 scopus 로고    scopus 로고
    • The effect that other types of distortions may have on the coupling in 1(n), such as the combined translational/rotational twisting that would result in a helical structure, were not examined because the computational methods used require that the two TCNE units be related by symmetry.
    • The effect that other types of distortions may have on the coupling in 1(n), such as the combined translational/rotational twisting that would result in a helical structure, were not examined because the computational methods used require that the two TCNE units be related by symmetry.
  • 37
    • 85037450540 scopus 로고    scopus 로고
    • 2 symmetry
    • 2 symmetry.
  • 50
    • 85037457700 scopus 로고    scopus 로고
    • h, is derived from splitting energies, ΔE(π), involving filled π orbitals and hence is related to a hole transfer process.
    • h, is derived from splitting energies, ΔE(π), involving filled π orbitals and hence is related to a hole transfer process.
  • 53
    • 85037459570 scopus 로고    scopus 로고
    • The HOMO energies of the one-benzene and two-benzene π-stacks are, respectively, -9.22 and -8.38 eV, and the LUMO energies are 4.12 and 3.79 eV, respectively.
    • The HOMO energies of the one-benzene and two-benzene π-stacks are, respectively, -9.22 and -8.38 eV, and the LUMO energies are 4.12 and 3.79 eV, respectively.
  • 64
    • 85037470244 scopus 로고    scopus 로고
    • Private communication
    • (e) Therien, M. J. Private communication, 1999.
    • (1999)
    • Therien, M.J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.