Shin H K
Department of Chemistry, University of Nevada, Reno, Nevada 89557, USA.
J Chem Phys. 2004 Nov 15;121(19):9443-52. doi: 10.1063/1.1804955.
The vibrational relaxation of oxygen embedded in an argon cage through vibrational to local translation, rotation, and argon phonon modes has been studied using semiclassical procedures. The collision model is based on the trapped molecule undergoing the restricted motions (local translation and hindered rotation) in a cage formed by its twelve nearest argon neighbors in a face-centered-cubic structure. At 85 K in the liquid argon temperature range, the deexcitation probability of O(2)(v=1) is 5.8 x 10(-12) and the relaxation rate constant with the collision frequency from local translation is 23 s(-1). The rate constant decreases to 5.1 s(-1) at 50 K and to 0.016 s(-1) at 10 K in the solid argon temperature range. Transfer of the vibrational energy to local translation, rotation (both hindered and free), and argon phonon modes is the relaxation pathway for the trapped oxygen molecule.
利用半经典方法研究了嵌入氩笼中的氧通过振动到局部平移、旋转和氩声子模式的振动弛豫。碰撞模型基于被困分子在由其面心立方结构中十二个最近的氩邻居形成的笼中进行受限运动（局部平移和受阻旋转）。在液氩温度范围的85K时，O₂(v = 1)的去激发概率为5.8×10⁻¹²，局部平移碰撞频率的弛豫速率常数为23 s⁻¹。在固态氩温度范围，速率常数在50K时降至5.1 s⁻¹，在10K时降至0.016 s⁻¹。振动能量向局部平移、旋转（受阻和自由）以及氩声子模式的转移是被困氧分子的弛豫途径。
