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Enhancement of intramolecular vibrational energy transfer through rotational coupling

机译:通过旋转耦合增强分子内振动能量传递

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The classical effects of rotation on vibrational energy transfer have been analyzed using a model based on H2O and its deuterated analogs. This model examines the coupling of the two stretching modes when rotation in the plane is allowed but the bending mode is frozen. It is found that the effects of rotation can be significant but the nature of the effects depends on the details of the system. For example, an angular momentum of 30 ℏ greatly increases energy transfer for H2O but decreases energy transfer for D2O. An explanation for this difference in behavior is derived from the effect of rotation on the 1 : 1 vibrational resonance.
机译:使用基于H2O及其氘代类似物的模型分析了旋转对振动能量传递的经典影响。该模型研究了当允许在平面中旋转但弯曲模式被冻结时两种拉伸模式的耦合。结果发现,旋转的影响可能很大,但影响的性质取决于系统的细节。例如,角动量为30 ℏ大大增加了H2O的能量传递,但减少了D2O的能量传递。对这种行为差异的解释来自旋转对 1 :1 振动共振的影响。

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