A Water Rich Crystalline Hydrate Formed by 1,4,7,10-Tetraazacyclododecane, Siliconhydrofluoric Acid and Water: Structure and Properties |
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| Authors: | Marina S Fonari Yurii A Simonov Victor Ch Kravtsov Vladimir O Gelmboldt Edward V Ganin Yurii A Popkov Larisa V Ostapchuk |
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| Institution: | (1) Institute of Applied Physics, Academy of Sciences of Moldova, Kishinev, Academy str. 5, 2028, Moldova;(2) Institute of Environmental and Human Protection at, Odessa State University, Odessa, 270100, Ukraine |
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| Abstract: | Novel complementary associations have been found in a crystalline ternarycomplex of the macrocyclic tetramine, 12]aneN4 (e.g. =1,4,7,10-tetraazacyclododecane, cyclen, L), hexafluorosilicate ions andwater (I). The final compound belongs to the host—guest type with themacrocycle as the host (H), the inorganic entity as a guest (G) and watermolecules. It was characterized by X-ray techniques, IR spectroscopy andthermogravimetric study. X-ray crystal analysis revealed that the structureis built of the charged entities, with a 3D-network uniting thequadriprotonated form of the macrocycle, hexafluorosilicate as counterionsand lattice water molecules viaN—H+...F-,N—H+...O(w),OH...F- and O—-H(w)...O(w)hydrogen bonds. The overall complex stoichiometry comprises fourSiF6
2- anions and seven water molecules per twoLH4]4+ cations. Crystals of (I) are monoclinic,space group P21/n with a = 14.585(3), b = 16.384(2), c =16.500(3) Å,  = 92.84(3)°, V = 3938(1)Å3 and Z = 8 forC8H31F12N4O3.5Si2. |
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| Keywords: | Tetraazamacrocycle host— guest complementarity inclusion compound H-bonds |
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