CRYSTAL STRUCTURE OF BORon difluoride NAPHTHYLbutanedioNATE-1,3 (C10H7COCHCOCH3BF2). ПЂ-STACKING INTERACTION AND LUMINESCENCE
B. V. Bukvetskii, E. V. Fedorenko, A. G. Mirochnik, A. Y. Beloliptsev
Keywords: boron difluoride ?-diketonates, crystal structure, excimers, luminescence
Pages: 563-568
Abstract
The crystal structure and luminescent properties of boron difluoride 1-naphthyl-butandionate-1,3 (1) (C10H7COCHCOCH3BF2) are determined and analyzed. The molecules of compound 1 are packed in the crystal into infinite stacks due to π-stacking interactions. A feature of the structure of 1 is a fragment of four neighboring molecules, the π-systems of which participate in π…π interactions of different types: naphthyl…naphthyl (head-to-head) and naphthyl…chelate (head-to-tail). The data of time resolved luminescent spectroscopy and quantum chemical computations show that in crystals and concentrated solutions of 1, one excimer structure occurs corresponding to the head-to-tail overlap.
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