Excess electrons bound to H 2 S trimer and tetramer clusters
Excess electrons bound to H 2 S trimer and tetramer clusters
复制标题
多余的电子与 H 2 S 三聚体和四聚体簇结合
DOI：
10.1039/c9cp06872d
复制
发表时间：
2020
影响因子：
3.3
通讯作者：
Bowen, Kit H.
中科院分区：
文献类型：
--
作者：
Liu, Gaoxiang;Díaz-Tinoco, Manuel;Ciborowski, Sandra M.;Martinez-Martinez, Chalynette;Lyapustina, Svetlana;Hendricks, Jay H.;Ortiz, Joseph Vincent;Bowen, Kit H.
我们制备了硫化氢三聚体和四聚体阴离子（H2S）3−和（H2S）4−，测量了它们的阴离子光电子能谱，并应用高级量子化学计算解释了结果。在它们的光电子能谱和它们的扩散Dyson轨道中，在低电子结合能处的尖锐峰是它们都是偶极束缚阴离子的证据。虽然中性（H2S）3和（H2S）4团簇的偶极矩很小，但过量的电子会引起结构扭曲，从而增强电荷偶极吸引力并促进扩散电子的结合。
We have prepared the hydrogen sulfide trimer and tetramer anions, (H2S)3− and (H2S)4−, measured their anion photoelectron spectra, and applied high-level quantum chemical calculations to interpret the results. The sharp peaks at low electron binding energies in their photoelectron spectra and their diffuse Dyson orbitals are evidence for them both being dipole-bound anions. While the dipole moments of the neutral (H2S)3 and (H2S)4 clusters are small, the excess electron induces structural distortions that enhance the charge-dipolar attraction and facilitate the binding of diffuse electrons.