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Title: Supramolecular Organic Frameworks (SOFs) Using Anthracene Based Flexible Azoles: Synthesis, Structural and Photophysical Studies
Authors: Singh, Udai Pratap
Singh N.
Mohanty A.
Butcher R.J.
Published in: Journal of Chemical Crystallography
Abstract: Abstract: A series of salts viz., BIA 2SIA 2CH OH (1a), BTA NDS 2H O (1b), BTA NDS 2H O 2DMF (1c), BBIA 0.5NDS DMF (1d), BBIA 2SIA 2H O (1e) and BPA NDS 2H O (1f) have been synthesised by solvothermal method. All these salts were characterized by elemental analysis, TGA, PXRD and single-crystal X-ray diffraction technique. Structural analysis revealed that these salts showed N–H⋯O, O–H⋯O, C–H⋯O, C–H⋯π and π⋯π interactions. The overall percentage of short contacts and the contribution of the different intermolecular interactions were examined by Hirshfeld surface analysis. The solid-state emission maxima of all salts is blue-shifted in comparison to the pure ligand. This may due to different modes of packing of anthracene moieties and solvent assisted hydrogen bonding in sulfonate salts. Thermal stability of 1d, 1e and 1f salts are more than other salts. Graphic Abstract: Hirshfeld surface analysis employed to identify intermolecular interactions within the structure. The close inspection of Hirshfeld surface analysis of NDS and SIA molecule in all the structures revealed that the maximum area of the Hirshfeld surface are covered by O⋯H/H⋯O hydrogen bond interaction in all salts
Citation: Journal of Chemical Crystallography(2020)
Issue Date: 2020
Publisher: Springer
Keywords: Fingerprint
ISSN: 10741542
Author Scopus IDs: 57649843400
Author Affiliations: Singh, U.P., Department of Chemistry, Indian Institute of Technology Roorkee, Roorkee, 247667, India
Singh, N., Department of Chemistry, Indian Institute of Technology Roorkee, Roorkee, 247667, India
Mohanty, A., Department of Chemistry, Indian Instit
Funding Details: Council of Scientific and Industrial Research, India, CSIR University Grants Committee, UGC.Authors are grateful to the CSIR, New Delhi, India, for financial assistance. Neetu Singh thankfully acknowledges UGC, New Delhi, for providing the fellowship.
Corresponding Author: Singh, U.P.; Department of Chemistry, India; email:
Appears in Collections:Journal Publications [CY]

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