Coordination Diversity of Aluminum Centers Molded by Triazole Based Chalcogen Ligands

Equimolar and excess ratio reactions of AlMe3 and AliBu3 with the ligands 4,5-(P(E)Ph2)2tzH (tz = 1,2,3-triazole; E = O (1), S (2), Se(3)) were performed, showing a vast variety of coordination modes. The products obtained, [AlR2{κ2-O,O′-[4,5-(P(O)Ph2)2tz]}] (R = Me (4), iBu (5)), [AlR2{κ3-N,N′,S-[4,5-(P(S)Ph2)2tz]}(μ-tz)]2 (R = Me (6), R = iBu (7)), [AlMe2{κ2-N,Se-[4,5-(P(Se)Ph2)2tz]}] (8), [Al{κ2-N,Se-[4,5-(P(Se)Ph2)2tz]}3] (9), [AlR2{κ2-O,O′-[4,5-(P(O)Ph2)2tz]}-(N′-AlR3)] (R = Me (10), iBu (11)), and [AlR2{κ2-N,S-[4,5-(P(S)Ph2)2tz]}-(N′-AlR3)] (R = Me (12), R = iBu (13)), were characterized by spectroscopic methods, and the structures of 1, 4, 6, 7, 9, 10, and 12 were obtained through X-ray diffraction studies. Theoretical calculations were performed on the deprotonated ligands and on selected compounds to obtain information regarding the coordination variety observed for these compounds.