18-CROWN-6 BASED SUPRAMOLECULAR STRUCTURE, HYDROGEN BONDING BEHAVIOUR AND ITS NONLINEAR OPTICAL PROPERTIES.
Referat
The crystal structures of the host-guest supramolecular complexes [1,4,7,10,13,16-hexaoxacyclooctad ecane, pyridin-3-ylmethanaminium salt]·2H₂O (I) and short form [(P3MA)2+·2(18C6)]·2H₂O (18C6=18-crown-6(1,4,7,10,13,16-hexaoxacyclooctadecane); P3MA= pyridine-3-ylmethanamine were determined by single-crystal X-ray diffraction analysis. Supramolecular assembly is constructed via N–H•••O; O-H•••N interactions. Both complexes crystallize in the monoclinic system with the centrosymmetric space group Pn . The vibrational patterns in FT-IR spectra are used to identify functional groups. Direct band gap energies estimated by diffuse reflectance spectroscopy are 3.42 eV for (I) and 4.78 eV for (II). Molecular interactions are analyzed using Hirshfeld surfaces derived from single-crystal XRD data. Fingerprint plots of Hirshfeld surfaces were employed to quantify and analyze the percentage contributions of hydrogen bonding interactions. Crystal size -0.14x0.12x 0.11 mm3
A Z-scan study was conducted to determine the third-order nonlinear optical (NLO) response.
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