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

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

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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：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

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摘要

Calix[4]azulene 1 is shown to be an effective molecular receptor for tetraalkylammonium halide and BF4- 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：杯[4] azulene 1被证明是卤化四烷基铵和BF4-盐的有效分子受体。使用对紫外可见吸收滴定研究的光谱数据进行整体拟合分析，确定各自的结合常数。还报道了由1形成的推定配合物以及1本身的X射线结构的DFT研究。

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《RSC Advances》 |2015年第68期|共5页
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Rahman Shofiur; Zein Ahmed; Dawe Louise N.; Shamov Grigory; Thordarson Pall; Georghiou Paris E.;
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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

机译：1：1 C-60的机械化学形成：叔丁基杯[4] azulene超分子复合物：固态NMR和DFT计算研究
3. Mechanochemically-generated solid state complex of C-60-fullerene with tetra-(5,7-diphenyl)calix[4]azulene, NMR, XRD and DFT studies [J] . Schneider Celine, Nishimura Hidetaka, Lee Jaehyun, Supramolecular chemistry . 2018,第7a8期

机译：C-60-富勒烯的机械化学 - 生成固态络合物，具有四（5,7-二苯基）胶[4]氮素，NMR，XRD和DFT研究
4. Computational Study of Lanthanide Halide Complexes in a Molten Salt Environment [C] . International symposium on molten salt chemistry and technology . 1998

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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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