Conformational effects in the fluorescence and photochemistry of [2. n](9, 10) anthracenophanes (n= 4, 5)

…, J Ferguson, M Puza, GB Robertson

Index: Dunand, Albert; Ferguson, James; Puza, Miroslav; Robertson, Glen B. Journal of the American Chemical Society, 1980 , vol. 102, # 10 p. 3524 - 3530

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Citation Number: 16

Abstract

Abstract: A molecular force field model has been used to predict the number of possible conformations of [2.4](9, 10) anthracenophane (I) and [2.5](9, 10) anthracenophane (11). The model predicts four conformers for I and six for 11. Calculated heats of formation and observed X-ray structure data provide the most likely conformational arrangements of I and I1 in their ground states. These have the largest mean interchromophore separations. ...