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- W1973551789 abstract "Calculations are reported of the packing energy of acridine as a substitutional guest molecule in crystalline fluorene as host. Acridine is treated in its ground state and, in an approximate way, in a singlet excited state. Also calculations are reported of the radical pair (acridinyl-fluorenyl) formed by photochemical H-transfer. Experiments have shown that of the two stereochemically distinct orientations available to acridine in the fluorene lattice one is strongly favoured, namely the orientation in which the acridine N is adjacent to the methylene of fluorene, and therefore able readily to form a N … HC hydrogen bond. Packing calculations in the bulk crystal give too small an energy difference to account for this strong preference. It is suggested that conditions at the growing crystal face determine the orientation of acridine molecules as they are incorporated into the lattice. Various mechanisms are discussed." @default.
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- W1973551789 date "1987-06-01" @default.
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- W1973551789 title "Crystal constraints and photochemical H-transfer in the acridine-fluorene mixed crystal" @default.
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- W1973551789 doi "https://doi.org/10.1016/0301-0104(87)80115-5" @default.
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