Comparative endor and triple resonance studies on 1,4-dimethylnaphthalene and anti[2.2](1,4)naphthalenophane anion radicals

From chemically generated anion radicals of anti[2.2](1,4)naphthalenophane and 1,4-dimethylnaphthalene, hyperfine coupling constants including relative signs are determined by ENDOR and TRIPLE resonance. The data are compared with spin density distributions obtained by MO calculations. The results a...

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Bibliographic Details
Published inChemical physics letters Vol. 125; no. 1; pp. 69 - 73
Main Authors Hamacher, V., Plato, M., Möbius, K.
Format Journal Article
LanguageEnglish
Published Amsterdam Elsevier B.V 21.03.1986
Elsevier Science
Subjects
Atomic and molecular physics
Exact sciences and technology
Molecular properties and interactions with photons
Multiple resonances (including double and higher-order resonance processes, such as double nuclear magnetic resonance, electron double resonance and microwave optical double resonance)
Physics
Chemical solution
Electron dinuclear triple resonance
Total energy
Hyperfine coupling constant
Theoretical study
Spin polarization
Spin density
Organic radical anion
Experimental study
Condensed benzenic compound
Bacteriochlorophyll a
Bicyclic compound
Counter ion
Models
ENDOR spectrum
Organic compounds
INDO method
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Summary:From chemically generated anion radicals of anti[2.2](1,4)naphthalenophane and 1,4-dimethylnaphthalene, hyperfine coupling constants including relative signs are determined by ENDOR and TRIPLE resonance. The data are compared with spin density distributions obtained by MO calculations. The results are discussed with respect to the spin density distribution in the “special pair” primary donor of bacterial photosynthesis.
ISSN:0009-2614
1873-4448
DOI:10.1016/0009-2614(86)85157-0