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Cover Feature: Halogen and Chalcogen Bond Energies Evaluated Using Electron Density Properties (ChemPhysChem 1/2020)
ChemPhysChem ( IF 2.9 ) Pub Date : 2019-12-20 , DOI: 10.1002/cphc.201901183
Antonio Bauzá 1 , Antonio Frontera 1
Affiliation  

The Cover Feature shows several halogen and chalcogen bond donor and acceptor molecules and σ–hole complexes. Moreover, it illustrates in the center of the image an intramolecular halogen bonded complex that is also graphically represented by the pile of stones. The strength of the σ‐hole interaction can be easily estimated using the quantum theory of “atoms in molecules” (QTAIM) and the energy densities at the bond critical point also illustrated in the intramolecular complex. More information can be found in the Article by A. Bauzá and A. Frontera on page 26 in Issue 1, 2020 (DOI: 10.1002/cphc.201901001).
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中文翻译:

封面功能:使用电子密度特性评估卤素和硫族键能(ChemPhysChem 1/2020)

封面特征显示了几个卤素和硫族元素键的供体和受体分子以及σ-孔络合物。此外,它在图像的中心示出了分子内卤素键合的复合物,该复合物也以石堆的形式图形化地表示。可以使用“分子中的原子”(QTAIM)的量子理论轻松地估计σ-空穴相互作用的强度,并且在分子内复合物中还可以显示键临界点处的能量密度。可以在2020年第1期的第26页的A.Bauzá和A.Frontera的文章中找到更多信息(DOI:10.1002 / cphc.201901001)。
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更新日期:2019-12-20
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