Ferrocene decorated unusual mercury(ii) dithiocarbamate coordination polymers: crystallographic and computational studies

CrystEngComm ◽  
2021 ◽  
Vol 23 (12) ◽  
pp. 2414-2423
Author(s):  
Amita Singh ◽  
Ayushi Singh ◽  
Suryabhan Singh ◽  
Gabriele Kociok-Köhn ◽  
Mohd. Muddassir ◽  
...  

Three new ferrocene decorated 1D coordination polymers of Hg(ii) dithiocarbamates were synthesized and the nature of their weak interactions was addressed using computational techniques.

CrystEngComm ◽  
2020 ◽  
Vol 22 (11) ◽  
pp. 2049-2059 ◽  
Author(s):  
Pooja Singh ◽  
Amita Singh ◽  
Ayushi Singh ◽  
Ashish Kumar Singh ◽  
Gabriele Kociok-Köhn ◽  
...  

Three new 1D coordination polymers of diorganotin(iv) dithiolates synthesized and the nature of their weak interactions addressed using computational techniques.


2015 ◽  
Vol 71 (a1) ◽  
pp. s434-s435
Author(s):  
Boris-Marko Kukovec ◽  
Nikolina Penić ◽  
Nives Matijaković ◽  
Marijana Đaković

2006 ◽  
Vol 59 (9) ◽  
pp. 647 ◽  
Author(s):  
Yong-Tao Wang ◽  
Gui-Mei Tang ◽  
Da-Wei Qin

Three new inorganic–organic coordination polymers based on a versatile linking unit 2-(1H-imidazole-1-yl)acetate (Hima) and divalent Mn(ii), Ni(ii), and Cu(ii) ions, exhibiting two kinds of two dimensionalities with different topological structures, have been prepared in water medium and structurally characterized by single-crystal X-ray diffraction analysis. Reaction of MnCl2·4H2O and Ni(NO3)2·6H2O with Hima yielded neutral two-dimensional (2D) coordination polymers [M(ima)2]n, M = Mn(ii) 1, and Ni(ii) 2 with isostructural 2D coordination polymers possessing (3,6) topology structures, which further stack into three-dimensional (3D) supramolecular networks through C–H···O weak interactions. However, when Cu(NO3)2·4H2O was used, a neutral 2D coordination polymer [Cu(ima)2]n 3 consisting of rhombus units was generated, which showed a 3D supramolecular network through C–H···O weak interactions. Among these polymers, the building block ima anion exhibits different coordination modes. These results indicate that the versatile nature of this flexible ligand, together with the coordination preferences of the metal ions, plays a critical role in construction of these novel coordination polymers. Spectral and thermal properties of these new materials have also been investigated.


2020 ◽  
Vol 501 ◽  
pp. 119243 ◽  
Author(s):  
Ghodrat Mahmoudi ◽  
Payam Hayati ◽  
Khosro Mohammadi ◽  
Ardavan Masoudiasl ◽  
Joel T. Mague ◽  
...  

2018 ◽  
Vol 74 (8) ◽  
pp. 951-960 ◽  
Author(s):  
Chong Zhang ◽  
Kou-Lin Zhang

The bromo-substituted aromatic dicarboxylic acid 5-amino-2,4,6-tribromoisophthalic acid (H2ATBIP) was used to assemble with CdII ions in the presence of the N-donor flexible bipyridyl ligands 3,3′-(diazene-1,2-diyl)dipyridine (mzpy) and 1,3-bis(pyridin-3-ylmethyl)urea (3bpmu), leading to the formation of two chain coordination polymers by adopting solution methods, namely, catena-poly[[[triaqua(5-amino-2,4,6-tribromoisophthalato-κO)cadmium(II)]-μ-3,3′-(diazene-1,2-diyl)dipyridine-κ2 N 1:N 1′] dihydrate], {[Cd(C8H2Br3NO4)(C10H8N4)(H2O)3]·2H2O} n or {[Cd(ATBIP)(mzpy)(H2O)3]·2H2O} n , (1), and catena-poly[[[tetraaquacadmium(II)]-μ-1,3-bis(pyridin-3-ylmethyl)urea-κ2 N 1:N 1′-[diaquabis(5-amino-2,4,6-tribromoisophthalato-κO)cadmium(II)]-μ-1,3-bis(pyridin-3-ylmethyl)urea-κ2 N 1:N 1′] octahydrate], {[Cd(C8H2Br3NO4)(C12H12N4O)(H2O)3]·4H2O} n or {[Cd(ATBIP)(3bpmu)(H2O)3]·4H2O} n , (2). Both complexes were characterized by FT–IR spectroscopic analysis, thermogravimetric analysis (TGA), solid-state diffuse reflectance UV–Vis spectroscopic analysis, and single-crystal and powder X-ray diffraction analysis (PXRD). The mzpy and 3bpmu ligands bridge the CdII metal centres in (1) and (2) into one-dimensional chains, and the ATBIP2− ligands show a monodentate coordination to the CdII centres in both coordination polymers. A discrete water tetramer exists in (1). Within the chains of (1) and (2), there are halogen bonds between adjacent ATBIP2− and mzpy or 3bpmu ligands, as well as hydrogen bonds between the ATBIP2− ligands and the coordinated water molecules. With the aid of weak interactions, the structures of (1) and (2) are further extended into three-dimensional supramolecular networks. An analysis of the solid-state diffuse reflectance UV–Vis spectra of (1) and (2) indicates that a wide indirect band gap exists in both complexes. Complexes (1) and (2) exhibit irreversible and reversible dehydration–rehydration behaviours, respectively, and the solid-state fluorescence properties of both complexes have been studied.


2019 ◽  
Vol 75 (9) ◽  
pp. 1286-1298 ◽  
Author(s):  
Yanyan An ◽  
Liping Lu ◽  
Miaoli Zhu

Coordination polymers (CPs) with specific structures and functional luminescence have been widely designed as sensors for detecting small molecules and ions. In this study, with or without the help of an N-donor auxiliary linker, three new ZnII CPs, namely, three-dimensional (3D) poly[[pentaaquabis[μ3-5-(4-carboxybenzyloxy)isophthalato]bis[μ6-5-(4-carboxylatobenzyloxy)isophthalato]di-μ3-hydroxido-hexazinc(II)] trihydrate], {[Zn6(C16H10O7)2(C16H9O7)2(OH)2(H2O)5]·3H2O} n or {[Zn6(μ3-HL)2(μ6-L)2(μ3-OH)2(H2O)5]·3H2O} n , (I), one-dimensional (1D) catena-poly[[[aqua(1,10-phenanthroline)zinc(II)]-μ2-5-(4-carboxybenzyloxy)isophthalato] dihydrate], {[Zn(C16H10O7)(C12H8N2)(H2O)]·2H2O} n or {[Zn(μ2-HL)(phen)(H2O)]·2H2O} n (phen is 1,10-phenanthroline), (II), and 3D poly[diaquatetrakis(4,4′-bipyridine)bis[μ6-5-(4-carboxylatobenzyloxy)isophthalato]di-μ3-formato-di-μ3-hydroxido-pentazinc(II)], [Zn5(C16H9O7)2(HCOO)2(OH)2(C10H8N2)4(H2O)2] n or [Zn5(μ4-L)2(bpy)4(μ2-OH)2(μ3-HCOO)2(H2O)2] n (bpy is 4,4′-bipyridine), (III), have been constructed from the semi-rigid tricarboxylic acid 5-(4-carboxybenzyloxy)isophthalic acid (H3 L) under hydrothermal conditions. CP (I) exhibits a twofold interpenetrated 3D+3D→3D skeleton with a 3,5-conn topology constructed from triangular trinuclear [Zn3(COO)4(μ3-OH)] clusters, in which the H3 L ligand adopts three different coordination modes. CP (II) exhibits a 1D infinite chain and stacking that gives a 3D structure mediated by hydrogen bonds and weak interactions. CP (III) is an interesting 3D 3,4,8-conn network including linear tetranuclear [Zn4(μ2-OH)2(HCOO)2(COO)2] clusters with a new {4·62}2{4·64·8}{46·619·83} topological symbol. The influences of the flexible –CH2–O– linker of the H3 L ligand and subtle environmental factors, such as solvent, pH value and auxiliary ligands, on the formation of the final structures are also discussed. The solid-state fluorescence spectra of CPs (I)–(III) were recorded at room temperature and all show better fluorescence performances than H3 L. In particular, (II) can act as a potential multifunctional fluorescent material for sensing hexavalent chromium ions in aqueous solution with high stability, selectivity and sensitivity. Under ultraviolet light of 365 nm from a UV lamp, a signal response of fluorescence from turning on to off can be observed with the naked eye. It was found that the detection for hexavalent chromium (i.e. Cr2O7 2−) by (II) has a high selectivity [K SV = 1.61 × 104 M −1 and limit of detection (LOD) = 0.434 µM] in aqueous solution. Quenching mechanisms were also studied in detail.


2019 ◽  
Vol 88 (1) ◽  
pp. 25-33 ◽  
Author(s):  
Christopher M. Dobson

Over the past six decades, steadily increasing progress in the application of the principles and techniques of the physical sciences to the study of biological systems has led to remarkable insights into the molecular basis of life. Of particular significance has been the way in which the determination of the structures and dynamical properties of proteins and nucleic acids has so often led directly to a profound understanding of the nature and mechanism of their functional roles. The increasing number and power of experimental and theoretical techniques that can be applied successfully to living systems is now ushering in a new era of structural biology that is leading to fundamentally new information about the maintenance of health, the origins of disease, and the development of effective strategies for therapeutic intervention. This article provides a brief overview of some of the most powerful biophysical methods in use today, along with references that provide more detailed information about recent applications of each of them. In addition, this article acts as an introduction to four authoritative reviews in this volume. The first shows the ways that a multiplicity of biophysical methods can be combined with computational techniques to define the architectures of complex biological systems, such as those involving weak interactions within ensembles of molecular components. The second illustrates one aspect of this general approach by describing how recent advances in mass spectrometry, particularly in combination with other techniques, can generate fundamentally new insights into the properties of membrane proteins and their functional interactions with lipid molecules. The third reviewdemonstrates the increasing power of rapidly evolving diffraction techniques, employing the very short bursts of X-rays of extremely high intensity that are now accessible as a result of the construction of free-electron lasers, in particular to carry out time-resolved studies of biochemical reactions. The fourth describes in detail the application of such approaches to probe the mechanism of the light-induced changes associated with bacteriorhodopsin's ability to convert light energy into chemical energy.


2017 ◽  
Vol 73 (3) ◽  
pp. 247-253 ◽  
Author(s):  
Xue-Ru Wang ◽  
Jian-Ping Ma ◽  
Yu-Bin Dong

Organic ligands and counter-anions influence the coordination spheres of metal cations and hence the construction of coordination polymers (CPs). The specific bent geometries of five-membered heterocyclic triazole bridging organic ligands are capable of generating CPs with novel patterns not easily obtained using rigid linear ligands. A multidentate 4-aminotriazole-bridged organic ligand, namely 4-amino-3,5-bis(4,3′-bipyridyl-5′-yl)-4H-1,2,4-triazole (L) has been prepared and used to synthesize two CoII coordination polymers, namely poly[[[μ2-4-amino-3,5-bis(4,3′-bipyridyl-5′-yl)-4H-1,2,4-triazole-κ2 N:N′]bis(methanol-κO)cobalt(II)] bis(perchlorate)], {[Co(C22H16N8)2(CH3OH)2](ClO4)2} n , (I), and poly[[μ3-4-amino-3,5-bis(4,3′-bipyridyl-5′-yl)-4H-1,2,4-triazole-κ3 N:N′:N′′]dichloridocobalt(II)], [CoCl2(C22H16N8)] n , (II), using CoX 2 salts [X = ClO4 for (I) and Cl for (II)] under solvothermal conditions. Single-crystal X-ray structure analysis revealed that they both feature two-dimensional networks. Cobalt is located on an inversion centre in (I) and in a general position in (II). In (I), L functions as a bidentate cis-conformation ligand linking CoII ions, while it functions as a tridentate trans-conformation linker binding CoII ions in (II). In addition, O—H...N and N—H...O hydrogen bonds and C—H...π interactions exist in (I), while N—H...Cl and π–π interactions exist in (II), and these weak interactions play an important role in aligning the two-dimensional nets of (I) and (II) in the solid state. As the compounds were synthesized under the same conditions, the significant structural variations between (I) and (II) are believed to be determined by the different sizes and coordination abilities of the counter-anions. IR spectroscopy and diffuse reflectance UV–Vis spectra were also used to investigate the title compounds.


2019 ◽  
Vol 74 (3) ◽  
pp. 261-265 ◽  
Author(s):  
Gao-Feng Wang ◽  
Shu-Wen Sun ◽  
Wei-Bing Wang ◽  
Hong Sun ◽  
Shao-Fei Song

AbstractTwo coordination polymers, {[Co(bipmo)(tbip)]·3H2O}n (1) and {[Cd(bipmo)(tbip)]·3H2O}n (2) (bipmo=bis(4-(1H-imidazol-1-yl)phenyl)methanone, H2tbip=5-tert-butylisophthalic acid), were synthesized by solvothermal methods and structurally characterized by elemental analyses, infrared spectroscopy, and single-crystal X-ray diffraction. The results from single-crystal X-ray diffraction data indicate that the solid state structures of 1 and 2 consist of metal-aromatic carboxylate layers, which are pillared by weak interactions to generate a three-dimensional network. The topological structures of 1 and 2 are uninodal nets based on 3-connected nodes with the Schläfli symbol of {63}.


Chemistry ◽  
2020 ◽  
Vol 2 (1) ◽  
pp. 33-49 ◽  
Author(s):  
Olaya Gómez-Paz ◽  
Rosa Carballo ◽  
Ana Belén Lago ◽  
Ezequiel M. Vázquez-López

The present work assesses the ability of two flexible bis-tetrazole organosulfur ligands to build up different metallosupramolecular compounds based on the analysis of the different supramolecular interactions. The reaction of copper(II) chloride dihydrate with the N,N’-donor dithioether ligands bis(1-methyl-1H-tetrazole-5-ylthio)methane (BMTTM) and 1,2-bis(1-methyl-1H-tetrazole-5-ylthio)ethane (BMTTE) was investigated using different synthetic methods. Four compounds have been obtained as single crystals: two pseudopolymorphic 1D Cu(II) coordination polymers with the ligand BMTTM, a 2D Cu(II) coordination polymer and a discrete Cu(I) tetramer with the BMTTE ligand. The effects of the weak interactions on the crystal packing and the Hirshfeld surfaces of the structures were analyzed to clarify the nature of the intermolecular interactions.


Sign in / Sign up

Export Citation Format

Share Document