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• W2013097916 startingPage "12524" @default.
• W2013097916 abstract "We report on ab initio calculations at the G2(MP2) level of the structures and Al−N(P) bond complexation energies of the (CH3)nH3-nAlNX3 and (CH3)nH3-nAlPX3 (X = H, F, and Cl; n = 0−3) donor−acceptor complexes. For the (CH3)3AlNX3 and (CH3)3AlPX3 complexes, the C3v symmetry is found to be favored, and for the other complexes the Cs symmetry is found to be favored. The G2(MP2) calculated complexation energies show for the amine ligands the trend NH3 > NCl3 > NF3. A similar trend PH3 ≈ PCl3 > PF3 is predicted for the phosphane ligands. The NBO partitioning scheme shows that there is no correlation between the stability and the charge transfer." @default.
• W2013097916 created "2016-06-24" @default.
• W2013097916 creator A5016653868 @default.
• W2013097916 creator A5074937686 @default.
• W2013097916 date "2006-10-26" @default.
• W2013097916 modified "2023-10-12" @default.
• W2013097916 title "Ab Initio Molecular Orbital Investigation of the Amine-Alanes (CH₃)<i>_n</i>H₃_-<i>_n</i>AlNX₃ and Phosphane-Alanes (CH₃)<i>_n</i>H₃_-<i>_n</i>AlPX₃ (X = H, F, and Cl; <i>n</i> = 0−3) Complexes" @default.
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• W2013097916 doi "https://doi.org/10.1021/jp063882i" @default.
• W2013097916 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17091959" @default.
• W2013097916 hasPublicationYear "2006" @default.
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