3-Picoline Mediated Self-Assembly of M(II)鈥揗alonate Complexes (M = Ni/Co/Mn/Mg/Zn/Cu) Assisted by Various Weak Forces Involving Lone Pair鈭捪€, 蟺鈥撓€, and Anion路路路蟺鈥揌ole Interactions
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- 作者：Monojit Mitra ; Prankrishna Manna ; Antonio Bauz谩 ; Pablo Ballester ; Saikat Kumar Seth ; Somnath Ray Choudhury ; Antonio Frontera ; Subrata Mukhopadhyay
- 刊名：Journal of Physical Chemistry B
- 出版年：2014
- 出版时间：December 18, 2014
- 年：2014
- 卷：118
- 期：50
- 页码：14713-14726
- 全文大小：826K
- ISSN：1520-5207
文摘
Five M(II)鈥搈alonate complexes having a common formula (C6H9N2)4[MII(C3H2O4)2(H2O)2](PF6)2.(H2O)2 (1鈥?b>5) [where C6H9N2 = protonated 3-picoline, M(II) = Ni/Co/Mn/Mg/Zn, C3H4O4 = malonic acid, and PF6鈥?/sup> = hexafluorophospahte], have been synthesized and their crystal structures have been determined. Complexes 1鈥?b>5 were found to be isostructural and protonated 3-picoline has primarily mediated the self-assembly process. Role of a discrete water dimer in complexes 1鈥?b>5 was also studied. Weaker 蟺鈥搃nteractions have also played crucial role in stabilizing 1D chain constructed by discrete [MII(C3H2O4)2(H2O)2] units. An additional copper complex namely, (C6H9N2)4[Cu(C3H2O4)2](PF6)2 (6) has been synthesized from the same reagents and was found to have a completely different structure from the others. Structures of all the complexes are fully described and compared here. Moreover, the lone pair鈭捪€ and 蟺鈥撓€ noncovalent interactions have been analyzed by means of DFT calculations, mainly focusing our attention to the influence of the coordinating metal on the strength of the interactions and the interplay between hydrogen bonding and 蟺-interactions. We also present here Hirshfeld surface analysis to investigate the close intermolecular contacts.