دورية
Cation−π Interaction in Al(L)+ Complexes (L = C6 H6 , C5 H5 N, C5 H6 , C4 H4 NH, C4 H4 O)
العنوان: | Cation−π Interaction in Al(L)+ Complexes (L = C |
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المؤلفون: | Stockigt, D. |
المصدر: | The Journal of Physical Chemistry - Part A; May 15, 1997, Vol. 101 Issue: 20 p3800-3807, 8p |
مستخلص: | The cation−π interactions between Al+ and aromatic systems have been investigated by ab initio molecular orbital and density functional methods. The structures and bond dissociation energies (BDEs) of Al+−L complexes (L = benzene, pyridine, cyclopentadiene, furan, pyrrole) have been calculated using Hartree−Fock (HF), Møller−Plesset perturbation, quadratic configuration interaction, pure density functional theory (DFT), and DFT/HF-hybrid methods. The following 0 K BDE data have been obtained: BDE(Al+−benzene, C |
قاعدة البيانات: | Supplemental Index |
تدمد: | 10895639 15205215 |
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