Progressive acylation of pyrene engineers solid state packing and colour via C-H···H-C, C-H···O and π-π interactions

Quantum theory of atoms-in-molecules and Hirshfeld surface analyses indicated an increase in the extent of (i) C-H···H-C; (ii) C-H···O, (iii) π-π interactions and a decrease in the extent of (i) σ-π interaction, (ii) an interplanar angle between the vicinal pyrene units in a series of acetylpyrene d...

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Veröffentlicht in:Chemical communications (Cambridge, England) England), 2014-08, Vol.50 (63), p.8644-8647
Hauptverfasser: Rajagopal, Shinaj K, Philip, Abbey M, Nagarajan, Kalaivanan, Hariharan, Mahesh
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Philip, Abbey M
Nagarajan, Kalaivanan
Hariharan, Mahesh
description Quantum theory of atoms-in-molecules and Hirshfeld surface analyses indicated an increase in the extent of (i) C-H···H-C; (ii) C-H···O, (iii) π-π interactions and a decrease in the extent of (i) σ-π interaction, (ii) an interplanar angle between the vicinal pyrene units in a series of acetylpyrene derivatives offering blue-green-orange emissive crystals.
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title Progressive acylation of pyrene engineers solid state packing and colour via C-H···H-C, C-H···O and π-π interactions
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