Abstract
A large number of aluminium-nitrogen compounds obtained from the reactions of organoaluminium complexes with amines continually proved to be of great importance in material science, as precursors, for the deposition of thin films of aluminium nitride. In the present work, quantum chemical studies using semi-empirical Parametric Method 3 (PM3) at the level of unrestricted Hartree-Fock (UHF) framework on six dimeric aminoalanes of the formula: [Me 2 Al-μ-N(H)Ar F ] 2 (Ar F = 4-C 6 H 4 F (1), 2-C 6 H 4 F (2), 3.5-C 6 H 3 F 2 (3), 2,3,4,5-C 6 HF 4 (4), 2,3,5,6-C 6 HF 4 (5) and C 6 F 5 (6) have been carried out. Their geometrical parameters have been compared with the available X-ray data Our calculated values are in good agreement with the experimental values. Further, the energetic parameters have also been calculated.
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