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Role of supramolecular interactions in crystal packing of Strandberg-type cluster-based hybrid solids
Journal of Chemical Sciences ( IF 1.7 ) Pub Date : 2020-10-07 , DOI: 10.1007/s12039-020-01826-w
Jisha Joseph , Cinu Winson , Bharti Singh , Jemini Jose , Jency Thomas

Abstract

Two new Strandberg-type cluster-based phosphomolybdates {H-2a3mp}5[{PO3(OH)}{PO4}Mo5O15], 1 and {H-2a4mp}5[{PO3(OH)}{PO4}Mo5O15]·6H2O, 2 have been crystallized via solvent evaporation technique using 2-amino-3-methylpyridine (2a3mp) and 2-amino-4-methylpyridine (2a4mp) respectively. The solids were characterized using single-crystal X-ray diffraction, powder X-ray diffraction, fourier transform infrared spectroscopy, thermogravimetric analysis, scanning electron microscopy and cyclic voltammetry. The solid 1 crystallized in monoclinic system with space group P21/c, a = 8.394(1), b = 27.398(6), c = 21.521(4) Å, β = 97.68(3)°, Z = 4. The solid 2 crystallized in triclinic system with space group P-1, a = 11.728(1), b = 14.234(1), c = 19.589(1) Å, α = 68.906(3), β = 89.454(3), γ = 66.559(3)°, Z = 2. The solids 1 and 2 formed a supramolecular framework stabilized by hydrogen bonding interaction between cluster anions and organic moieties. CH…π interactions between the organic moieties reinforced the crystal packing in 1 and 2. While crystal packing effects resulted in the formation of solvent-accessible voids in 1; aggregation of lattice water molecules in 2 facilitated the formation of pentameric water cluster. In addition, electrochemical behavior of 1 and 2 has also been investigated.

Graphic abstract

Two new Strandberg-type cluster based phosphomolybdates, 1 and 2 have been crystallized via solvent evaporation technique using 2-amino-3-methylpyridine and 2-amino-4-methylpyridine. Detailed structural analysis revealed the role of supramolecular interactions in the crystal packing of these solids. In addition, electrochemical behavior of 1 and 2 has also been investigated.



中文翻译:

超分子相互作用在Strandberg型团簇杂化固体晶体堆积中的作用

摘要

两种新的基于Strandberg型簇的磷钼酸盐{H-2 a 3 mp } 5 [{PO 3(OH)} {PO 4 } Mo 5 O 15 ],1和{H-2 a 4 mp } 5 [{PO 3(OH)} {PO 4 } Mo 5 O 15 ]·6H 2 O,2通过溶剂蒸发技术使用2-氨基-3-甲基吡啶(2 a 3 mp)和2-氨基-4-甲基吡啶( 24 mp) 分别。使用单晶X射线衍射,粉末X射线衍射,傅立叶变换红外光谱,热重分析,扫描电子显微镜和循环伏安法对固体进行表征。在单斜晶系中以空间群P 2 1 / c结晶的固体1a  = 8.394(1),b  = 27.398(6),c  = 21.521(4)Å,β  = 97.68(3)°,Z = 4。在三斜晶系中以空间群P- 1结晶的固体2a  = 11.728(1),b  = 14.234(1),c  = 19.589(1)Å,α = 68.906(3),β  = 89.454(3),γ  = 66.559(3)°,Z = 2。固体12形成了超分子骨架,该超分子骨架通过簇状阴离子和有机部分之间的氢键相互作用而稳定。有机部分之间的CH…π相互作用增强了12中的晶体堆积。虽然晶体堆积效应导致形成溶剂可及空隙的1 ; 2中晶格水分子的聚集促进了五聚体水簇的形成。此外,还研究了12的电化学行为。

图形摘要

通过使用2-氨基-3-甲基吡啶和2-氨基-4-甲基吡啶的溶剂蒸发技术,已结晶出两种新的基于Strandberg型簇的磷钼酸盐12。详细的结构分析揭示了超分子相互作用在这些固体的晶体堆积中的作用。此外,还研究了12的电化学行为。

更新日期:2020-10-07
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