Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/154468
Title: Metal-organic architectures driven by a multifunctional 6-aminouracil spacer : structures, noncovalent interactions, and conductivity
Authors: Purkayastha, Atanu
Dhar, Sourab
Mondal, Suvra Prakash
Franconetti, Antonio
Frontera, Antonio
Ganguly, Rakesh
Kirillov, Alexander M.
Misra, Tarun Kumar
Keywords: Science::Chemistry
Issue Date: 2020
Source: Purkayastha, A., Dhar, S., Mondal, S. P., Franconetti, A., Frontera, A., Ganguly, R., Kirillov, A. M. & Misra, T. K. (2020). Metal-organic architectures driven by a multifunctional 6-aminouracil spacer : structures, noncovalent interactions, and conductivity. CrystEngComm, 22(4), 829-840. https://dx.doi.org/10.1039/C9CE01437C
Journal: CrystEngComm
Abstract: Three new coordination polymers, [NaI(H2L)(H2O)3]n (1), {[KI(H2L)(H2O)]8·13H2O}n (2), and {[NiIINaI2(HL)2(H2O)8]·6H2O}n (3), were assembled from 1,3-dimethyl-5-(p-sulfonic-phenylazo)-6-aminouracil (H3L) as a versatile building block. Although azo-coupling reactions generally result in simple azo-compounds, the presence of the sulfonate (–SO3−) group at the ligand frame led to the formation of the NaI-1D (1) or KI-3D (2) homometallic coordination polymer with different ligand coordination modes. Moreover, the heterometallic NiII/NaI-1D (3) coordination polymer was obtained while carrying the reaction of 2 with NiCl2·6H2O. The structures of the obtained products were fully established by single crystal X-ray diffraction and confirmed by standard methods. Compounds 1 and 3 possess 1D metal–organic chains with the 2C1 topology, whereas 2 features a very complex 3D metal–organic architecture with an unprecedented topology. The computational study for molecular electrostatic potential (MEP) surface energies revealed an important finding, namely a decrease of the π-acidity of the uracil ring upon coordination and a consequent increase of the π-basicity of the phenyl-sulfonate ring, resulting in effective anti-parallel π–π stacking interactions in 1 and 2. Finally, a semi-conductive behavior of the obtained compounds was explored using impedance spectroscopy, revealing the very remarkable conductive properties of 1 (2.2 × 10−4 S cm−1), which is a far better conductive material than 2 (7.2 × 10−6 S cm−1) and 3 (4.8 × 10−7 S cm−1). The obtained products represent the first coordination compounds derived from H3L. This study contributes to the design of functional coordination polymers driven by still poorly explored 6-aminouracil building blocks.
URI: https://hdl.handle.net/10356/154468
ISSN: 1466-8033
DOI: 10.1039/C9CE01437C
Rights: © 2020 The Royal Society of Chemistry. All rights reserved.
Fulltext Permission: none
Fulltext Availability: No Fulltext
Appears in Collections:SPMS Journal Articles

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