Crystallization of Mo-EDTA complex based solids: Molecular insights

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• 作者：Dinesh Kumar ; Monika Singh ; Arunachalam Ramanan ; ^{aramanan@chemistry.iitd.ac.in}
• 关键词：Molybdenum&ndash ; EDTA complex ; Structural landscape ; Supramolecular reaction ; Pseudopolymorphs
• 刊名：Journal of Molecular Structure
• 出版年：2012
• 出版时间：26 December, 2012
• 年：2012
• 卷：1030
• 期：Complete
• 页码：89-94
• 全文大小：843 K

文摘

The paper reports synthesis and structural elucidation of three new 2:1 molybdenum-EDTA complex based solids: [{Na₂(H₂O)₆}{Mo₂O₆(H₂EDTA)}]¡¤2H₂O (1), [{Na₄(H₂O)₈}{Mo₂O₆(EDTA)}] (2) and [(H₂TEMED)Mo₂O₆(H₂EDTA)]¡¤H₂O (3). Retrosynthesis of the phases crystallized from the system Na₂H₂EDTA¡¤2H₂O?Na₂MoO₄¡¤H₂O or TEMED-MoO₃ provides molecular insights by interpreting the crystal packing in terms of the intermolecular interactions between tectons. 1 and 2 are examples of concentration-dependent crystallization. 3 is the first example based on Mo-EDTA with organic as counter cation. In 1 and 2, the Mo-EDTA complex is coordinated through water-bridged sodium hydrates while in 3 the 2:1 complex interacts with organic counter cation through hydrogen bonding. Crystal data: 1, Monoclinic, space group P2₁/c, a = 8.5086(9) ?, b = 11.5536(12) ?, c = 13.3844(14) ?,  = 92.713(2)¡ã, Z = 4; 2, Monoclinic, space group P2₁/c, a = 11.892(8) ?, b = 6.587(5) ?, c = 17.155(12) ?,  = 108.794(11)¡ã, Z = 4; 3, Monoclinic, space group P2/c, a = 14.549(4) ?, b = 6.9153(17) ?, c = 15.471(4) ?,  = 112.843(4)¡ã, Z = 2.