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Volumn 80, Issue 6, 2007, Pages 1103-1113

Theoretical and experimental studies on the ground- And excited-state dipole moments of 1,4-naphthoquinone and its derivatives

Author keywords

[No Author keywords available]

Indexed keywords

CONFIGURATION INTERACTIONS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DILUTE SOLUTIONS; ELECTRON EXCITATIONS; EXPERIMENTAL STUDIES; NAPHTHOQUINONE; POSITIVE CORRELATIONS; SPECTROSCOPIC METHODS;

EID: 58149293272     PISSN: 00092673     EISSN: 13480634     Source Type: Journal    
DOI: 10.1246/bcsj.80.1103     Document Type: Article
Times cited : (6)

References (37)
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    • M. Yamaji, K. Takehira, T. Itoh, H. Shizuka, S. Tobita, Phys. Chem. Chem. Phys. 2001, 3, 5470. Recently, we determined the dipole moments of some of 1,4-para-quinones. The dipole moment of 1,4-tetracenequinone was determined as 3.5 D in benzene solution. By using this value, the excited-state dipole moment of 1,4-tetracenequinone will be reduced to somewhat small dipole moment.
    • M. Yamaji, K. Takehira, T. Itoh, H. Shizuka, S. Tobita, Phys. Chem. Chem. Phys. 2001, 3, 5470. Recently, we determined the dipole moments of some of 1,4-para-quinones. The dipole moment of 1,4-tetracenequinone was determined as 3.5 D in benzene solution. By using this value, the excited-state dipole moment of 1,4-tetracenequinone will be reduced to somewhat small dipole moment.
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    • The dipole moments of the excited-state at equilibrium structure were obtained from the Storks shift the difference between 0-0 transitions of the absorption and fluorescence spectra
    • Y. Ooshika, J. Phys. Chem. 1954, 9, 594. The dipole moments of the excited-state at equilibrium structure were obtained from the Storks shift (the difference between 0-0 transitions of the absorption and fluorescence spectra).
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    • 14b so we were unable to determine the excited-state dipole moments of the equilibrium molecular structure at the excited state by using the spectroscopic method.
    • 14b so we were unable to determine the excited-state dipole moments of the equilibrium molecular structure at the excited state by using the spectroscopic method.
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    • The CIS calculation results of compounds 1-10 were available from the Supporting Information.
    • The CIS calculation results of compounds 1-10 were available from the Supporting Information.


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