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Supramolecular Organic Frameworks (SOFs) Using Anthracene Based Flexible Azoles: Synthesis, Structural and Photophysical Studies
Journal of Chemical Crystallography ( IF 0.8 ) Pub Date : 2020-05-07 , DOI: 10.1007/s10870-020-00831-8
Udai P. Singh , Neetu Singh , Aurobinda Mohanty , Ray J. Butcher

Abstract A series of salts viz., BIA . 2SIA . 2CH 3 OH ( 1a ), BTA . NDS . 2H 2 O ( 1b ), BTA . NDS . 2H 2 O . 2DMF ( 1c ), BBIA . 0.5NDS . DMF ( 1d ), BBIA . 2SIA . 2H 2 O ( 1e ) and BPA . NDS . 2H 2 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

中文翻译:

使用基于蒽的柔性唑类的超分子有机框架 (SOF):合成、结构和光物理研究

摘要一系列盐,即 BIA 。2SIA . 2CH 3 OH (1a), BTA。国家统计局。2H 2 O(1b),BTA。国家统计局。2H 2 O。2DMF (1c), BBIA。0.5NDS。DMF(1d),BBIA。2SIA . 2H 2 O (1e) 和 BPA。国家统计局。2H 2 O ( 1f ) 已通过溶剂热法合成。所有这些盐都通过元素分析、TGA、PXRD 和单晶 X 射线衍射技术进行了表征。结构分析表明,这些盐表现出 N-H⋯O、O-H⋯O、C-H⋯O、C-H⋯π 和 π⋯π 相互作用。通过 Hirshfeld 表面分析检查短接触的总体百分比和不同分子间相互作用的贡献。与纯配体相比,所有盐的固态发射最大值发生蓝移。这可能是由于蒽部分的不同填充模式和磺酸盐中溶剂辅助的氢键。1d 、1e 和1f 盐的热稳定性高于其他盐。图形摘要 Hirshfeld 表面分析用于识别结构内的分子间相互作用。对所有结构中 NDS 和 SIA 分子的 Hirshfeld 表面分析的仔细检查表明,Hirshfeld 表面的最大面积被所有盐中的 O⋯H/H⋯O 氢键相互作用覆盖
更新日期:2020-05-07
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