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Volumn 111, Issue 11, 2007, Pages 2035-2039

Charge-transfer transitions in twisted stilbenoids: Interchangeable features and generic distinctions of single- and double-bond twists

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; CHEMICAL BONDS; PHASE TRANSITIONS; PHOTOCHEMICAL REACTIONS; SUBSTITUTION REACTIONS;

EID: 34047229934     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0676484     Document Type: Article
Times cited : (21)

References (23)
  • 4
    • 0000098204 scopus 로고
    • Charge Transfer in Self-Decoupling π Systems
    • Greenberg, A, Eds, VCH Publishers: New York
    • Rettig, W. Charge Transfer in Self-Decoupling π Systems. In Modern Models of Bonding and Delocalization; Liebman, J.: Greenberg, A., Eds.; VCH Publishers: New York, 1988; pp 229-282.
    • (1988) Modern Models of Bonding and Delocalization; Liebman, J , pp. 229-282
    • Rettig, W.1
  • 8
    • 34047232104 scopus 로고    scopus 로고
    • The MO designations used here are not the proper terms in the usual sense applied to ground-state occupation pattern because ground states in the present model can have an open-shell character and hence involve unoccupied molecular orbitals
    • The MO designations used here are not the proper terms in the usual sense applied to ground-state occupation pattern because ground states in the present model can have an open-shell character and hence involve "unoccupied" molecular orbitals.
  • 13
    • 34047212963 scopus 로고    scopus 로고
    • AMPAC 6.0 and AMPAC 6.55, Semichem, Inc.; Shawnee, KS. 1997.
    • AMPAC 6.0 and AMPAC 6.55, Semichem, Inc.; Shawnee, KS. 1997.
  • 19
    • 0001553682 scopus 로고
    • Daehne, S. Science 1978, 199, 1163.
    • (1978) Science , vol.199 , pp. 1163
    • Daehne, S.1
  • 22
    • 34047193722 scopus 로고    scopus 로고
    • DA range from -9.8 to -0.8 eV. In so doing, the sparkles were rigidly positioned on both sides of the stilbene molecule distant by 2.7 Å from the 4,4′-atoms on the CH bond lines and varied in the range of ±0.05e to ±2e.
    • DA range from -9.8 to -0.8 eV. In so doing, the sparkles were rigidly positioned on both sides of the stilbene molecule distant by 2.7 Å from the 4,4′-atoms on the CH bond lines and varied in the range of ±0.05e to ±2e.
  • 23
    • 34047238898 scopus 로고    scopus 로고
    • The step-like sections on the lines correspond to a jump in the DA properties of the substituents when the local HOMO of the D and the LUMO of the A become the global frontier MOs of the molecule; the congested points thus represent merely a ΔEDA-scale-induced computational effect
    • DA-scale-induced computational effect.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.