Multiple bonds and re(4f) binding energies of some rhenium halides
Multiple bonds and re(4f) binding energies of some rhenium halides
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DOI：
10.1002/qua.560290434
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发表时间：
1986-04
影响因子：
2.2
通讯作者：
A. Katrib;B. El-issa;R. Ghodsian
中科院分区：
文献类型：
--
作者：
A. Katrib;B. El-issa;R. Ghodsian
在光电子能谱仪上用氩离子轰击某些三卤代芳烃的实验结果，得到了低价的三卤代芳烃。通过Re（4f）的不稳定性和卤素光谱线强度的相对降低，证明了化合物的存在。本文用MS X-α方法研究了Re（4f）态能量的理论计算。计算中使用的分子模型由具有结构Re 2X（n = 2，4，6）的D4 h对称性的多卤化物组成。本文还讨论了由于dxy轨道的重叠而形成多重键的问题。
Experimental results on the bombardment of some rhenium trihalides by argon ions in a photoelectron spectrometer have yielded lower-valency rhenium halides. The presence of the compounds have been made evident by the destabilization of the Re(4f) and the relative decrease in the halogen spectral line intensities. A theoretical approach to the energy of the Re(4f) states have been studied by the MS X-α method. The molecular model used in the calculations is made up of rhenium polyhalides in D4h symmetry having the structure Re2X (n = 2, 4, 6). A discussion is also presented on the formation of multiple bonds as a result of the overlap between the dxy orbitals of rhenium.