Cold collisions of complex polyatomic molecules.
Cold collisions of complex polyatomic molecules.
复制标题
复杂多原子分子的冷碰撞。
DOI：
--
复制
发表时间：
2011
影响因子：
4.4
通讯作者：
E. Heller
中科院分区：
文献类型：
--
作者：
Zhiying Li;E. Heller
介绍了一种模拟原子与大刚体不对称顶分子碰撞的经典轨迹计算方法。我们研究了在缓冲气体冷却实验中，在6.5 K的温度下，对于像萘这样大的分子，分子氦络合物的形成。我们的计算表明，在实验条件下，萘-氦准束缚碰撞配合物的平均寿命不足以形成稳定的团簇。我们的研究结果表明，通过增加氦的密度可以提高缓冲气体冷却实验中冷分子的产生效率。此外，我们发现当分子的振动运动处于冻结状态时，分子的形状对碰撞动力学有重要影响。对于某些分子，它甚至比可达到的自由度的数量更为重要。这表明，通过选择合适形状的分子进行缓冲气体冷却，有可能冷却具有很大自由度的分子。
We introduce a method for classical trajectory calculations to simulate collisions between atoms and large rigid asymmetric-top molecules. We investigate the formation of molecule-helium complexes in buffer-gas cooling experiments at a temperature of 6.5 K for molecules as large as naphthalene. Our calculations show that the mean lifetime of the naphthalene-helium quasi-bound collision complex is not long enough for the formation of stable clusters under the experimental conditions. Our results suggest that it may be possible to improve the efficiency of the production of cold molecules in buffer-gas cooling experiments by increasing the density of helium. In addition, we find that the shape of molecules is important for the collision dynamics when the vibrational motion of molecules is frozen. For some molecules, it is even more crucial than the number of accessible degrees of freedom. This indicates that by selecting molecules with suitable shape for buffer-gas cooling, it may be possible to cool molecules with a very large number of degrees of freedom.