Reorientation of DABCO (1,4-diazabicyclo[2.2.2]octane) in hydrogen-bonded 1:2 molecular complexes DABCO-2(SBA) with substituted benzoic acids SBA

被引：0

作者：

Asaji T. ^{[1
]}

Zhou B. ^{[1
]}

Noguchi M. ^{[1
]}

Fujimori H. ^{[1
]}

机构：

[1] Department of Chemistry, College of Humanities and Sciences, Nihon University, 3-25-40 Sakurajosui, Setagaya-ku, Tokyo

来源：

Journal of Molecular Structure | 2023年 / 1274卷

关键词：

NMR; Phase transition; Reorientation; Spin-lattice relaxation;

D O I：

10.1016/j.molstruc.2022.134506

中图分类号：

学科分类号：

摘要：

The molecular complexes of DABCO-2(SBA) with substituted benzoic acids SBA, which have the hydrogen-bonded trimeric unit, were prepared to investigate the DABCO reorientation in the trimeric unit. By the analysis of the temperature dependence of 1H NMR spin-lattice relaxation time, the correlation time of the DABCO reorientation was determined as a function of the temperature. It is suggested that a change of potential energy of the reorientation is caused with increasing rate of reorientation resulting in a structure change of the trimeric unit to a centrosymmetric structure. The correlation between the activation energy of the DABCO reorientation and the bond nature of the hydrogen bond involved in the trimeric unit is also discussed. © 2022 Elsevier B.V.

引用

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