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Excited-state intramolecular proton transfer in jet-cooled 3-hydroxyflavone. Deuteration studies, vibronic double-resonance experiments, and semiempirical (AM1) calculations of potential-energy surfaces

Muehlpfordt, A., Bultmann, T., Ernsting, N. P. and Dick, Bernhard (1994) Excited-state intramolecular proton transfer in jet-cooled 3-hydroxyflavone. Deuteration studies, vibronic double-resonance experiments, and semiempirical (AM1) calculations of potential-energy surfaces. Chemical Physics 181 (3), pp. 447-460.

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Abstract

3-Hydroxyflavone (3-HF) and 3-deuteroxyflavone (3-DF) were examd. by fluorescence excitation spectroscopy in a supersonic free jet. Compared to 3-HF, vibronic bands of 3-DF are significantly narrower. Substitution of H by D also appears to split vibronic bands into at least three bands leading to a congested spectrum. Fluorescence-dip double-resonance spectroscopy revealed that the complicated ...

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Item type:Article
Date:1994
Additional Information (public):CAN 120:243934 22-9 Physical Organic Chemistry 577-85-5 (3-Hydroxyflavone) Role: PRP (Properties) (excited-state intramol. proton transfer in jet-cooled); 7782-39-0 (Deuterium) Role: PRP (Properties) (isotope effect of,on excited-state intramol. proton transfer in hydroxyflavone); 12408-02-5 Role: PRP (Properties) (protonation and Proton transfer reaction, intramol., excited-state, of hydroxyflavone)
Institutions:Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Molecular Spectroscopy and Photochemistry) > Prof. Dr. Bernhard Dick
Identification Number:
ValueType
1994:243934Other
10.1016/0301-0104(93)E0448-5DOI
Keywords:Tautomerism and Tautomers (excited-state, in hydroxyflavone); Potential energy surface and hypersurface (of ground and excited state of hydroxyflavone); Isotope effect (on excited-state intramol. proton transfer in jet-cooled, by deuterium); Potential barrier (to low-frequency hydroxyl hydrogen motion, in hydroxyflavone); Molecular orbital (AM1, potential surface for ground and excited hydroxyflavone calcd. by); Fluorescence (excitation, of hydroxyflavone); Protonation and Proton transfer reaction (intramol., excited-state, of hydroxyflavone); Potential energy and function (vibrational, zero-point, of hydroxyflavone); Energy level transition (vibronic, of hydroxyflavone); hydroxyflavone excited state intramol proton transfer; fluorescence excitation hydroxyflavone; potential surface intramol proton transfer; isotope effect intramol proton transfer; AM1 MO limited CI hydroxyflavone
Dewey Decimal Classification:500 Science > 540 Chemistry & allied sciences
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Partially
Item ID:5569
Owner only: item control page

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