Supramolecular host–guest complexation of Lash's calix[4]azulene with tetraalkylammonium halides and tetrafluoroborate salts: binding and DFT computational studies

Shofiur Rahman; Ahmed Zein; Louise N. Dawe; Grigory Shamov; Pall Thordarson; Paris E. Georghiou

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Supramolecular host–guest complexation of Lash's calix[4]azulene with tetraalkylammonium halides and tetrafluoroborate salts: binding and DFT computational studies

机译：Suprametular的宿主 - 睫毛杯[4]氮烯，具有四烷基铵卤化物和四氟硼酸盐：结合和DFT计算研究

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Calix[4]azulene 1 is shown to be an effective molecular receptor for tetraalkylammonium halide and BF _(4) ~(?) salts. The respective binding constants were determined using global-fit analyses of the spectral data from UV-vis absorption titration studies. A DFT study of the putative complexes formed with 1 , and the X-ray structure of 1 itself is also reported.

机译：CALIX [4]氮素1显示为四烷基卤化物和BF _（4）〜（α）盐的有效分子受体。使用来自UV-Vis吸收滴定研究的光谱数据的全局拟合分析确定各个结合常数。还报道了用1形成的推定复合物的DFT研究和1本身的X射线结构。

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《RSC Advances》 |2015年第68期|共5页
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Shofiur Rahman; Ahmed Zein; Louise N. Dawe; Grigory Shamov; Pall Thordarson; Paris E. Georghiou;
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1. Supramolecular host-guest complexation of Lash's calix[4]azulene with tetraalkylammonium halides and tetrafluoroborate salts: binding and DFT computational studies [J] . Rahman Shofiur, Zein Ahmed, Dawe Louise N., RSC Advances . 2015,第68期

机译：拉什杯[4] ul与四烷基卤化铵和四氟硼酸盐的超分子主客体络合：结合和DFT计算研究
2. Mechanochemical formation of a 1:1 C-60: tert-butylcalix[4]azulene supramolecular complex: solid-state NMR and DFT computational studies [J] . Georghiou Paris E., Schneider Celine, Shamov Grigory, Supramolecular chemistry . 2016,第5a6期

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Supramolecular host–guest complexation of Lash's calix[4]azulene with tetraalkylammonium halides and tetrafluoroborate salts: binding and DFT computational studies

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