[(Al(iBu)2(μ-κ2S,N:κN'-4,5-(P(S)Ph2)2tz))2] | 1170658-30-6

• 英文名称: [(Al(iBu)2(μ-κ2S,N:κN'-4,5-(P(S)Ph2)2tz))2]
• CAS: 1170658-30-6
• 化学式: C₆₈H₇₆Al₂N₆P₄S₄
• 分子量: 1283.51
• InChiKey: VVVWNEIQQNZPGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  4,5-(P(S)Ph2)2tzH 、 三异丁基铝 以 甲苯 为溶剂， 以72%的产率得到[(Al(iBu)2(μ-κ2S,N:κN'-4,5-(P(S)Ph2)2tz))2]
  参考文献：
  名称：

  Coordination Diversity of Aluminum Centers Molded by Triazole Based Chalcogen Ligands

  摘要：

  Equimolar and excess ratio reactions of IME3 and (IBu3)-Bu-i With the ligands 4,5-(P(E)Ph-2)(2t) (t =1,2,3-tria ole; E =O (1), S (2), Se(3)) were performed, showing a vast variety of coordination modes. The products obtained, Ir-2 k(2)-O,O'-[4,5-(P(O)Ph-2)(2)t (R = Me (4) Bu-i (5)), [AiR(2) k(3)-N,N', S-[4,5-(P(S)Ph-2)(2)t (mu-t)(2) (R = Me (6) R = Bu-i(7)), [AiMe(2) k(2)-N, Se-[4,5-(P(Se)Ph-2)(2)t (8), [Al{k(2)-N,Se-[4,5-(P(Se)Ph-2)(2)t 3(9), [AiR(2) k(2)-O,O'-[4,5-(P(O)- Ph-2)(2)t -(N'-AiR(3)) (R = Me (10), 'Bu (11)), and [AiR(2) k(2)-N,S-[4,5-(P(S)Ph-2)(2)t -(N-AiR(3)) (R = Me (12), R = iBu (13)) were characteri ed 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.

  DOI：

  10.1021/ic900166u