Hydrogen Delocalization in Cyclic Water Clusters

Margaret Mandziuk

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Hydrogen Delocalization in Cyclic Water Clusters

机译：循环水团簇中的氢离域

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An alternative model of the dynamics in the low energy states of the water trimer is presented. In this model the dynamically averaged pseudorotational levels reflect the D_(3h) molecular symmetry group. In contrast to the currently accepted C_(3h) model, in the present model transitions through much higher energy barriers, such as clockwise to counterclockwise rearrangements, are allowed. This leads to a significantly different picture of the trimer dynamics. This paper identifies a difference between the two models which can be tested experimentally and will thereby facilitate the selection of the model that is closer to nature.

机译：提出了水三聚体低能态动力学的替代模型。在该模型中，动态平均的伪旋转水平反映了D_（3h）分子对称性组。与当前接受的C_（3h）模型相反，在本模型中，允许通过更高的能垒进行转换，例如顺时针重新排列为逆时针重新排列。这导致了三聚体动力学的明显不同。本文确定了可以通过实验进行测试的两个模型之间的差异，从而将有助于选择更接近自然的模型。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2004年第1期|共6页
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Margaret Mandziuk;
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6. Formation of an Amine-Water Cyclic Pentamer: A New Type of Water Cluster in a Polyazacryptand [O] . Musabbir A. Saeed, Bryan M. Wong, Frank R. Fronczek, -1

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Hydrogen Delocalization in Cyclic Water Clusters

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