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Volumn 126, Issue 9, 2004, Pages 2727-2731

Electronic Couplings in Organic Mixed-Valence Compounds: The Contribution of Photoelectron Spectroscopy

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; CHEMICAL BONDS; COMPUTATIONAL METHODS; ELECTRONIC STRUCTURE; PHOTOELECTRON SPECTROSCOPY;

EID: 1542347950     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja039263u     Document Type: Article
Times cited : (80)

References (69)
  • 19
    • 0037019546 scopus 로고    scopus 로고
    • (b) J. Am. Chem. Soc. 2002, 124, 10519.
    • (2002) J. Am. Chem. Soc. , vol.124 , pp. 10519
  • 20
    • 1542280945 scopus 로고    scopus 로고
    • (c) Theor. Chem. Acc. 2003, 110, 59.
    • (2003) Theor. Chem. Acc. , vol.110 , pp. 59
  • 31
    • 1542370831 scopus 로고    scopus 로고
    • note
    • ab, this model requires knowledge of the adiabatic dipole moment shift that can be obtained, in principle, from Stark effect experiments or from quantum-mechanical calculations.
  • 32
    • 1542280941 scopus 로고    scopus 로고
    • note
    • (a) Robin and Day classified the MV systems into three types: class I, completely valence-trapped (no electronic coupling between redox sites); class II, valence-trapped (weak coupling); and class III, delocalized valency (strong coupling).13b
  • 54
    • 1542280942 scopus 로고    scopus 로고
    • note
    • Similar results have been recently found for other delocalized organic MV systems (see refs 3a,g and 8).
  • 55
    • 1542311086 scopus 로고    scopus 로고
    • note
    • (a) Interestingly, the fact that the interaction with symmetric vibrations could play a major role in the charger-transfer process in strongly delocalized MV systems was also predicted by Hush.26b,c
  • 60
    • 1542280943 scopus 로고    scopus 로고
    • note
    • (a) Recent28b investigations of (neutral) heterocyclic conjugated polymers show that after an empirical correction via a linear regression, TD-DFT yields accurate results for band gap.
  • 62
    • 1542341157 scopus 로고    scopus 로고
    • note
    • ab and, therefore, that solution and gas-phase values should be similar.
  • 63
    • 1542280946 scopus 로고    scopus 로고
    • note
    • + 30b and the absence of solvent dependence3f are features characteristic of a class-III system.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.