Characterization of the ionic clathrate hydrate of tetra-n-butylammonium acrylate
Characterization of the ionic clathrate hydrate of tetra-n-butylammonium acrylate
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DOI：
10.1139/cjc-2014-0539
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发表时间：
2015-04
影响因子：
1.1
通讯作者：
S. Muromachi;Masato Kida;S. Takeya;Y. Yamamoto;R. Ohmura
中科院分区：
文献类型：
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作者：
S. Muromachi;Masato Kida;S. Takeya;Y. Yamamoto;R. Ohmura
使用单晶 X 射线衍射、元素分析和核磁共振 (NMR) 光谱对丙烯酸四正丁基铵 (TBA) 的离子笼形水合物进行了表征。 TBA丙烯酸酯的晶体结构为Jeffrey III型四方P42/n，具有33.076(7)×33.076(7)×12.170(2)A3晶胞。晶胞体积为13315(5)A3，几乎是理想结构的两倍。 TBA 阳离子是无序的并且位于两种类型的融合笼中。尽管丙烯酸酯阴离子位于与 TBA 阳离子相邻的五角十二面体笼中，但在晶胞中的其他 TBA 阳离子周围可能存在残留的丙烯酸酯阴离子。固态 13C NMR 光谱显示，TBA 阳离子在 173 K 时明显无序，但在 239 K 时则不然。在任一温度下均未观察到来自丙烯酸酯阴离子的 NMR 峰。这可能是由于与晶格水的氢键对丙烯酸酯阴离子的强烈限制。一些特征是...
The ionic clathrate hydrate of tetra-n-butylammonium (TBA) acrylate was characterized using single-crystal X-ray diffraction, elemental analysis, and nuclear magnetic resonance (NMR) spectroscopy. The crystal structure of TBA acrylate was Jeffrey’s type III and tetragonal P42/n, with a 33.076(7) × 33.076(7) × 12.170(2) A3 unit cell. The volume of the unit cell was 13315(5) A3, which is almost twice that of the ideal structure. The TBA cation was disordered and located in two types of fused cages. Although the acrylate anion was located in a pentagonal dodecahedral cage neighboring the TBA cation, there is a residual acrylate anion that could be around the other TBA cation in the unit cell. Solid-state 13C NMR spectra showed that the TBA cation was clearly disordered at 173 K, but not at 239 K. NMR peaks from the acrylate anion were not observed at either temperature. This is probably because of the strong restriction on the acrylate anion by hydrogen bonding with the lattice water. Some of the characteris...