Solution and solid-state structures of dibenzylamino calix[4]arene with complexed solvent molecules

IF 4 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Structure Pub Date : 2024-11-29 DOI:10.1016/j.molstruc.2024.140785

Matteo Cardoso, Jacques Beauchemin-Ratté, Frank Schaper

引用次数: 0

Abstract

The solution and solid state structures of 1,3-dibenzylamino calix[4]arene were investigated via NMR and X-ray crystallography for MeCN, ethanol, hexane, THF, chloroform and toluene solvents. Analysis of the obtained structures show a symmetric flattening/pinching of the calixarene for solvents with a roughly cylindrical shape (MeCN, ethanol, hexane) and an asymmetrical flattening of the cone for more anisotropic, flat solvents, such as THF or toluene. Due to the deviation from planarity of the N₂O₂ fragment in the latter case, these solvents might be best suited for the preparation of octahedral or tetrahedral metal complexes, while the former would be more suitable for the preparation of square-planar complexes.

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二苄基杯芳烃与络合溶剂分子的溶液和固相结构

采用核磁共振和x射线晶体学研究了1,3-二苄基杯芳烃在甲醇、乙醇、己烷、四氢呋喃、氯仿和甲苯溶剂中的溶液和固体结构。对所得到的结构的分析表明，杯芳烃在近似圆柱形的溶剂（甲醇、乙醇、己烷）中呈对称扁平/挤压状，而在更各向异性的扁平溶剂（如四氢呋喃或甲苯）中呈不对称锥形。由于后一种情况下N2O2片段的平面度偏离，这些溶剂可能最适合制备八面体或四面体金属配合物，而前者更适合制备方平面配合物。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Molecular Structure 化学-物理化学

CiteScore

7.10

自引率

15.80%

发文量

2384

审稿时长

45 days

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