Seth, Piya ; Bauzá, Antonio ; Frontera, Antonio ; Ghosh, Ashutosh (2014) Analyses of supramolecular interactions present in a coordination polymer of Mn(II) with 2-picolinate and 4,4′-Azobis(pyridine) Inorganic Chemistry Communications, 41 . pp. 1-5. ISSN 1387-7003
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Official URL: http://www.sciencedirect.com/science/article/pii/S...
Related URL: http://dx.doi.org/10.1016/j.inoche.2013.12.015
Abstract
A new 2D coordination polymer [MnII(pic)(4,4′ -azpy)(H2O)]ClO4•EtOH (pic = 2-picolinate) has been synthesized where each of the octahedral Mn(II) center is connected by trans coordinating 4,4′-azpy and syn-anti bridging picolinate, resulting in a sheet like structure. Density Functional Theory (DFT) calculations, at the BLYP-D3/def2-TZVPD level of theory, are performed to explore the interplay of various supramolecular interactions present within the coordination polymer.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| Keywords: | Mn(II) Picolinate Complex; 4,4′-Azobis(Pyridine); Crystal Structure; Supramolecular Interactions; Theoretical Calculations |
| ID Code: | 108228 |
| Deposited On: | 17 Oct 2017 12:55 |
| Last Modified: | 17 Oct 2017 12:55 |
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