Evidence for spontaneous resolution of icosahedral proline.
Evidence for spontaneous resolution of icosahedral proline.
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DOI：
10.1021/ja066278u
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发表时间：
2006-11
影响因子：
15
通讯作者：
S. Myung;K. Lorton;Samuel I. Merenbloom;M. Fioroni;Stormy L Koeniger;R. R. Julian-R.;M. Baik;D. Clemmer-D.-C
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文献类型：
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作者：
S. Myung;K. Lorton;Samuel I. Merenbloom;M. Fioroni;Stormy L Koeniger;R. R. Julian-R.;M. Baik;D. Clemmer-D.-C
在这里，我们展示了实验证据的自发手性拆分二十面体[12 Pro +H]+团簇离子。分子模拟显示，二十面体由12个等间距的脯氨酸组成，其中每个单体的刚性吡咯烷环伸出封闭的笼。紧密堆积的手性笼将单个质子捕获在中心腔中。另一方面，外消旋[12 Pro +H]+簇大小表现出棱柱结构，其可以容易地依次掺入和失去脯氨酸单体单元，从而容易形成其他几何形状。解释这些意见的机制进行了讨论。
Here we show experimental evidence for the spontaneous chiral resolution of icosahedral [12Pro+H]+ cluster ion. Molecular simulations reveal that the icosahedron consists of 12 equally spaced prolines where the rigid pyrrolidine ring of each monomer is sticking out of the closed cage. The tightly packed chiral cage traps a single proton in the center cavity. On the other hand, racemic [12Pro+H]+ cluster size exhibits a prismatic structure that can easily incorporate and lose proline monomeric unit sequentially, thus easily forming other geometries. Mechanisms which account for these observations are discussed.