The complicating role of pnictogen bond formation in the solution-phase and solid-state structures of the heavier pnictogen atranes
The complicating role of pnictogen bond formation in the solution-phase and solid-state structures of the heavier pnictogen atranes
复制标题
氮元素键形成在较重的氮元素阿特拉烷的溶液相和固态结构中的复杂作用
DOI：
10.1039/d2dt01377k
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发表时间：
2022
影响因子：
4
通讯作者：
Cozzolino, Anthony F.
中科院分区：
文献类型：
--
作者：
Moaven, Shiva;Villanueva, Olivia H.;Unruh, Daniel K.;Cozzolino, Anthony F.
自1966年首次制备以来，最简单的锑丁烷的结构一直是个谜。本文报道了以三乙醇胺和三异丙醇胺为原料合成的两种锑杂三环化合物的合成和表征。固态结构揭示含有有利的分子间和分子内氮族元素键的大环。溶液的研究，证实了DFT分析，揭示了一个平衡的混合物分配给单体和pnictogen-bonded二聚体。这允许确定与氮族元素键形成相关的焓为−27 kJ mol−1，与这些相互作用的超分子性质一致。
The structure of the simplest stibatrane has been a mystery since it was first prepared in 1966. This study reports the preparation and characterization of two stibatranes from triethanolamine and triisopropanolamine. Solid state structures reveal macrocycles that contain favourable inter- and intramolecular pnictogen bonds. Solution studies, corroborated by DFT analysis, reveal an equilibrium mixture assigned to monomer and pnictogen-bonded dimer. This allowed for the determination of an enthalpy associated with pnictogen bond formation of −27 kJ mol−1, in line with the supramolecular nature of these interactions.