Influence of geometry on positron binding to molecules
Influence of geometry on positron binding to molecules
复制标题
几何形状对正电子与分子结合的影响
DOI：
10.1088/1361-6455/ac3e78
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发表时间：
2021
期刊：
影响因子：
--
通讯作者：
Surko, C M
中科院分区：
文献类型：
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作者：
Danielson, J R;Ghosh, S;Surko, C M
湮灭研究已证实正电子与大多数分子结合。它们还提供正电子分子结合能的测量，这些结合能变化很大，并且取决于分子大小和组成。先前已经讨论了结合能与分子极化率和偶极矩等全局参数的趋势。在本文中，通过研究选定异构体对的共振正电子湮灭，研究了结合能对分子几何形状的依赖性。研究发现，即使对于具有非常相似的极化率和偶极矩的异构体，分子几何形状在确定结合能方面也可以发挥重要作用。讨论了这种依赖性的可能根源。
Annihilation studies have established that positrons bind to most molecules. They also provide measurements of the positron-molecule binding energies, which are found to vary widely and depend upon molecular size and composition. Trends of binding energy with global parameters such as molecular polarizability and dipole moment have been discussed previously. In this paper, the dependence of binding energy on molecular geometry is investigated by studying resonant positron annihilation on selected pairs of isomers. It is found that molecular geometry can play a significant role in determining the binding energies even for isomers with very similar polarizabilities and dipole moments. The possible origins of this dependence are discussed.