Guest/Host Complexes of Octa Acid and Amphiphilic Benzylidene-3-methylimidazolidinones Exchange Hosts within the NMR Time Scale
Guest/Host Complexes of Octa Acid and Amphiphilic Benzylidene-3-methylimidazolidinones Exchange Hosts within the NMR Time Scale
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八酸和两亲性苯亚甲基-3-甲基咪唑啉酮的客体/主体配合物在 NMR 时间尺度内交换主体
DOI：
10.1021/acsomega.0c00523
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发表时间：
2020
期刊：
影响因子：
4.1
通讯作者：
Ramamurthy, Vaidhyanathan
中科院分区：
文献类型：
--
作者：
Samanta, Shampa R.;Baldridge, Anthony;Tolbert, Laren M.;Ramamurthy, Vaidhyanathan
Cavitand 八酸 (OA) 与一个或两个疏水性客体分子（1:2 或 2:2 客体/主体复合物）形成稳定的胶囊组件。已知客体分子在胶囊内翻滚而不破坏胶囊复合体的结构的例子。这个过程使得形成胶囊的两个 OA 分子磁力等效。在这项研究中，我们研究了以两亲性苯亚甲基-3-甲基咪唑啉酮分子作为客体的胶囊的动力学。在这些胶囊复合体中，尽管客体不会翻滚，但两个 OA 分子在磁力上等效，因为形成胶囊的两个 OA 分子在 NMR 时间尺度上交换了位置。这相当于胶囊中的内容物保持静止，而胶囊围绕其旋转。 Benzylidene-3-methylimidazolidinones 与 cavitand OA 形成 1:1 和 1:2 超分子复合物。二维 NMR、ROESY 和 NOESY 数据表明，在 300 ms 的时间范围内，胶囊的两半在自身和游离 OA 之间进行交换。这里得出的结论提供了有关 OA 胶囊复合体和空穴复合体稳定性的有价值的信息，这些复合体用作明确的空间来控制受限客体分子的激发态化学和动力学。
Cavitand octa acid (OA) is established to form a stable capsular assembly with one or two hydrophobic guest molecules (1:2 or 2:2 guest/host complex). Examples are known in which the guest molecule tumbles within the capsule without disrupting the structure of the capsuleplex. This process makes the two OA molecules that form the capsule magnetically equivalent. In this study, we have examined the dynamics of capsules that host amphiphilic benzylidene-3-methylimidazolidinone molecules as guests. In these capsuleplexes, although the guest does not tumble, the two OA molecules become magnetically equivalent because the two OA molecules that form the capsule exchange their positions in the NMR time scale. This is equivalent to the content of the capsule remaining stationary while the capsule swirls around it. Benzylidene-3-methylimidazolidinones form both 1:1 and 1:2 supramolecular complexes with cavitand OA. Two-dimensional NMR, ROESY, and NOESY data suggest that in a 300 ms time scale, the two halves of the capsule exchange between themselves and with free OA. The conclusion drawn here provides valuable information concerning the stability of the OA capsuleplex and cavitandplex that is used as the well-defined space to control the excited-state chemistry and dynamics of confined guest molecules.
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影响因子：
5.2
作者：
Shampa R. Samanta;J. P. Da Silva;Anthony Baldridge;L. Tolbert;V. Ramamurthy
通讯作者：
V. Ramamurthy
影响因子：
3.3
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影响因子：
3.9
作者：
Jayaraj, Nithyanandhan;Zhao, Yaopeng;Ramamurthy, V.
通讯作者：
Ramamurthy, V.
影响因子：
1.1
作者：
Jayaraj, Nithyanandhan;Jockusch, Steffen;Ramamurthy, V.
通讯作者：
Ramamurthy, V.
影响因子：
3.9
作者：
Kulasekharan, Revathy;Jayaraj, Nithyanandhan;Ramamurthy, V.
通讯作者：
Ramamurthy, V.