The role of hydrogen bonding on supramolecular assembly of the mercury coordination compounds and final structure influenced by solvent effect

Mahmoudi, Ghodrat; Khandar, Ali Akbar; Zarȩba, Jan K.; Białek, Michał J.; Gargari, Masoumeh Servati; Abedi, Marjan; Barandika, Gotzone; Derveer, Donald Van; Mague, Joel T.; Masoumi, Asad

doi:10.1016/j.ica.2014.12.027

Cited by 19 publications

(4 citation statements)

References 27 publications

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“…It is the subtle steric and/or electronic control of the frameworks which motivated the present study of azines as organic ligands in HgĲII) chemistry. [15][16][17][18][19][20][21][22][23][24][25][26][27] In line with the above discussion, we have recently reported on the syntheses and self-assembly of some HgĲII) compounds under mild solvothermal conditions using an interesting and unusual glassware apparatus. 28 The Schiff base ligand (L) we previously used played an important role in the formation of coordination polymers with fascinating structures.…”

Section: Introductionmentioning

confidence: 77%

The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds

et al. 2016

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In this study, nine mercuryĲII) complexes of the composition [HgĲL n )ĲX) 2 ] (X = Cl, Br and I, n = 1-3), (L 1 = 2-pyridine piconyl hydrazone); L 2 = (2-acetylpyridine piconyl hydrazone) and L 3 = (2-phenylpyridine piconyl hydrazone) are synthesized and spectroscopically characterized. Single-crystal X-ray crystallography showed that the molecular complexes can aggregate into larger entities depending upon the anion coordinated to the metal centre. Moreover, Hirshfeld surface (HS) analyses were employed to gain additional insight into interactions responsible for the packing of complexes 1-9. Quantitative examination of 2D fingerprint plots revealed, among others, the dominating participation of H⋯H and H⋯X interactions in the molecular packing. Moreover, C-H⋯X hydrogen bonds, π-π, and chelate-ring-π interactions are described and analysed by means of density functional theory (DFT) calculations since they play an important role in the construction of three-dimensional supramolecular frameworks. The influence of the halide on the energetic features of the assemblies has been also studied.

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Section: Introductionmentioning

confidence: 77%

The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds

et al. 2016

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“…Quite recently, we have evidenced that the 2D FP asymmetry is a peculiar feature of crystal structures consisting of more than one constituent. For example, the lack of diagonal symmetry was determined for crystal structures possessing two or more crystallographically independent molecules as well as in solvatomorphic systems . Undoubtedly, compounds I–III fall into both of the above categories; thus more precise information on the protonation effects can be extracted from the analysis of contact-decomposed FP plots.…”

Section: Resultsmentioning

confidence: 99%

Multicomponent Supramolecular Assemblies of Melamine and α-Hydroxycarboxylic Acids: Understanding the Hydrogen Bonding Patterns and Their Physicochemical Consequences

Castiñeiras

García‐Santos

González‐Pérez

et al. 2018

Crystal Growth & Design

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The reaction of 1,3,5-triazine-2,4,6-triamine (melamine, me) with alpha-hydroxycarboxylic acids, namely, glycolic acid (H 2 ga) and mandelic acid (H 2 ma), provided three ionic multicomponent crystal structures (MCSs) of composition:Those MCSs revealed the typical propensity of "me", and particularly of its monoprotonated form (Hme + ), to form supramolecular aggregates such as linear and crinkled tapes and molecular ribbons. The energetic landscape of those assemblies has been explored with the use of density functional theory calculations of various models of Hme + and "me" hydrogen-bonded aggregates. The stabilization energies of Hme + -based adducts are for the first time rationalized within the context of the anti-electrostatic hydrogen bonding concept. In addition, we discussed the supramolecular arrangement of I−III in terms of synthon formation and explored structural peculiarities imparted by hydration and solvation. The salt-to-cocrystal continuum is analyzed based on structural analysis and physicochemical properties such as vibrational characteristics, thermal stability, and solubility. Finally, the analysis of d norm -mapped Hirshfeld surfaces of melamine at different protonation states allowed us to establish strongly characteristic protonation-dependent features of those surfaces, whose peculiar features are reflected in associated fingerprint plots (FPs). By comparison with literature precedents, we have found that our findings on FP plots of "me" and Hme + species are indeed general.

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“…Mercury is a soft base and has good affinity with N and S rather than other metal ions in the same group in periodic table. A variety in structures can be observed by the influence of the halide anions even though it is difficult to predict which anions give similar or different structures. − Sometimes HgCl 2 and HgBr 2 play the same structural role but HgI 2 is different, − while in other cases HgBr 2 and HgI 2 play the same role but HgCl 2 is distinct. ,,, The structural diversity of the Hg(II) halide complexes depends on the identity of the spacer ligand and experimental conditions such as temperature and solvents as well …”

Section: Introductionmentioning

confidence: 99%

Solvent-Mediated Reversible Structural Transformation of Mercury Iodide Coordination Polymers: Role of Halide Anions

Chhetri

Yang

Chen

2017

Crystal Growth & Design

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Solvothermal reactions of HgX2 with 2,2′-(1,2-phenylene)-bis(N-pyridin-3-yl)acetamide, L, in ethanol afforded [Hg(L)X2] n (X = Cl, 1; Br, 2; I, 3), which are isostructural one-dimensional (1D) zigzag chains, while layering reactions of a ethanoic solution of L with a methanoic solution and an acetonitrile solution of HgI2, respectively, gave 1D helical chains [Hg(L)I2·MeOH] n , 4, and [Hg(L)I2·MeCN] n , 5. In marked contrast to 1 and 2, the iodide-containing 3 is able to exhibit reversible structural transformation with 4 and 5 by adsorption and desorption of methanol and acetonitrile, suggesting the importance of N–H---X and Hg---X interactions in the evaluation of structural transformation. Moreover, complexes 4 and 5 exhibit reversible crystal to crystal transformation triggered by solvent exchange. Complexes 3–5 represent a unique example that the solvents show a significant effect on folding and unfolding of the HgI2 single-stranded helical coordination polymers.

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The role of hydrogen bonding on supramolecular assembly of the mercury coordination compounds and final structure influenced by solvent effect

Cited by 19 publications

References 27 publications

The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds

The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds

Multicomponent Supramolecular Assemblies of Melamine and α-Hydroxycarboxylic Acids: Understanding the Hydrogen Bonding Patterns and Their Physicochemical Consequences

Solvent-Mediated Reversible Structural Transformation of Mercury Iodide Coordination Polymers: Role of Halide Anions

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