ChemInform Abstract: Influence of Guest Molecules on the Crystal Lattice Structure and Porous Structure Characteristics of Coordination Polymers

ChemInform ◽  
2016 ◽  
Vol 47 (30) ◽  
Author(s):  
S. V. Kolotilov
Keyword(s):  
Porous Structure ◽  
Crystal Lattice ◽  
Coordination Polymers ◽  
Lattice Structure ◽  
Guest Molecules ◽  
Structure Characteristics

Two Coordination Polymers Constructed from Pentanuclear Zinc Clusters with Triazolate and Benzenecarboxylate Ligands: Selective Gas Adsorption

2018 ◽  
Vol 71 (3) ◽  
pp. 111 ◽  
Author(s):  
Wen-Wen Zhang ◽  
Yu-Ling Wang ◽  
Ying Liu ◽  
Qing-Yan Liu
Keyword(s):  
Porous Structure ◽  
Coordination Polymers ◽  
Gas Adsorption ◽  
3D Structure ◽  
Co2 Uptake ◽  
N2 Adsorption ◽  
Carboxylate Oxygen ◽  
Zinc Clusters ◽  
Solvent Molecules ◽  
3D Framework

Reactions of Zn(NO3)2·6H2O with 1,2,4-triazole (Htrz) and 1,3,5-benzenetricarboxylic acid (H3BTC) or 5-sulfoisophthalic acid (5-H3SIP) afforded two coordination polymers, {[Zn5(μ3-OH)2(trz)2(BTC)2(DMF)2]·x(solvent)}n (1) and {[Zn7(trz)8(5-SIP)2(H2O)4]·4(H2O)}n (2). Compound 1 has pentanuclear [Zn5(μ3-OH)2] clusters, which are linked by the triazolate ligands to give a 2D layer. The 2D layer is further bridged by BTC3− ligands to form a 3D framework. The 3D framework of 1 has 1D channels filled by solvent molecules. Desolvated 1 shows a moderate CO2 uptake and high CO2/CH4 and CO2/N2 adsorption selectivities due to its carboxylate oxygen decorated pore environment. Compound 2 contains a rare 3D zinc-triazolate framework constructed from a pentanuclear [Zn5(trz)8] cluster wherein the five zinc atoms are arranged linearly. The 3D zinc-triazolate substructure has 1D open channels filled by 5-SIP3− ligands, which interact with the zinc-triazolate framework through Zn–O bonds, leading to a non-porous 3D structure of 2. Introduction of BTC3− into the zinc-triazolate system gave the porous structure of 1. While a variation of BTC3−, 5-SIP3− was introduced into the zinc-triazolate system yielding a non-porous structure of 2, demonstrating that the secondary ligands play an important role in the formation of the final structures.

scholarly journals Preparation of Fe-intercalated Graphite Based on Coal Tailings, Dimensional Structure

2015 ◽  
Vol 4 (3) ◽  
Author(s):  
Irfan Gustian ◽  
Eka Angasa ◽  
Dwi Agustini ◽  
Evi Maryanti ◽  
Dyiah Fitriani
Keyword(s):  
Crystal Lattice ◽  
Lattice Structure ◽  
Dimensional Structure ◽  
Thermal Method ◽  
Activation Process ◽  
Acid Activation ◽  
X Ray Diffraction ◽  
Intercalated Graphite ◽  
Coal Tailings ◽  
Mining Coal

<p>Intercalated graphite from coal tailings have been modified through the intercalation of iron. Coal tailings which is a byproduct of the destruction process and flakes washing results from mining coal. Intercalation of iron goal is to improve the physical properties of graphite and modifying sizes of crystal lattice structure with thermal method. Modification process begins with the carbonization of coal tailings at 500ºC and activated with phosphoric acid. Activation process has done by pyrolysis at 700ºC. The results of pyrolysis was soaked in mineral oil for 24 hours, then pyrolysis again with variations in temperature 800°C and 900ºC for 1 hour and subsequent intercalation iron at 1% and 2%. Material before activated, after activated, and the results of pyrolysis still indicates order nano: 29, 25 and 36 nm respectively. X-ray diffraction characterization results indicate that change in the structure, the sizes crystal lattice structure of the material The greater the concentration of iron was added, the resulting peak at 2θ = 33 and 35 also will be more sharply. The results of SEM showed different morphologies from each treatment.</p>

scholarly journals Phase transformations in cucurbituril host-guest complexes

2014 ◽  
Vol 70 (a1) ◽  
pp. C646-C646
Author(s):  
Oksana Danylyuk ◽  
Karolina Kedra-Krolik ◽  
Marta Worzakowska ◽  
Joanna Osypiuk-Tomasik ◽  
Vladimir Fedin
Keyword(s):  
Single Crystal ◽  
Crystal Lattice ◽  
Supramolecular Assembly ◽  
Water Molecules ◽  
Guest Molecules ◽  
X Ray ◽  
Host Guest Complex ◽  
Crystallographic Study ◽  
Partial Dehydration ◽  
Structure Changes

The retention of crystallinity upon desolvation of molecular crystals is not common, as the molecules are rigidly and densely packed in the crystals and the original framework usually collapses once solvent is removed from the structure. However, in rare cases the host framework remains substantially unaffected by solvent (guest) removal yielding structure with open channels or discrete lattice voids that can show permanent porosity. [1] Furthermore, sometimes happens, the desolvation process proceeds as single-crystal to single-crystal transformation resulting in distortion and sliding of the structure, changes in conformation, coordination modes and/or space group. Here we would like to present crystallographic study and thermal analysis on the dehydration process of the crystalline supramolecular complex between macrocyclic host cucurbit[6]uril and dopamine. In the solid state the 1:1 host-guest complex assembles into hexameric tubes with water-filled interior channels. Another set of water channels is created between three neighboring tubes in the crystal lattice. The crystals of such supramolecular assembly are not stable when out from mother solution and immediately start to loose water upon exposure to air. However, despite severe cracking the crystals dried in air maintained their integrity and still gave satisfactory diffraction pattern. The X-ray analysis showed significant decrease in the unit cell volume of the partially dehydrated crystals that corresponds to the liberation of some of the water molecules from the channels. Moreover, the reorganization of dopamine guest molecules has occurred in the crystal lattice as a response to the escape of water molecules from the structure. The partial dehydration and reorganization of the supramolecular framework proceeds via a single-crystal to single-crystal mechanism.

scholarly journals Structural diversity induced by ligand geometry: From two-dimensional to three-dimensional coordination polymers with pyridine

2020 ◽  
pp. 174751982096816
Author(s):  
Fang-Kuo Wang ◽  
Shi-Yao Yang ◽  
Hua-Ze Dong
Keyword(s):  
Coordination Polymers ◽  
Three Dimensional ◽  
Structural Diversity ◽  
Dimensional Structure ◽  
Layer By Layer ◽  
Two Dimensional ◽  
Guest Molecules ◽  
X Ray ◽  
Benzenedicarboxylic Acid ◽  
Benzenetricarboxylic Acid

Two coordination polymers with two-dimensional and three-dimensional structures are, {[Zn3(bdc)3(py)2]·2NMP}n (1) (H2bdc = 1,4-benzenedicarboxylic acid) and [Zn2(NO3−)(btc)(nmp)2(py)]n (2) (H3btc = 1,3,5-benzenetricarboxylic acid), synthesized by hot-solution reactions of Zn(NO3)2·6H2O, pyridine (py) and two different ligands in N-methylpyrrolidone (NMP). {[Zn3(bdc)3(py)2]·2NMP}n exhibits two-dimensional networks with trizinc subunits [Zn3(COO)6py2] stacking with a layer-by-layer alignment, and there are strong π–π interactions involving py from adjacent layers. [Zn2(NO3−)(btc)(nmp)2(py)]n has a three-dimensional structure containing two independent zinc ions, tetrahedral ZnO4 and octahedral ZnNO5. Based on X-ray studies, the coordination polymers {[Zn3(bdc)3(py)2]·2NMP}n (1) have a porous structure with NMP guest molecules. In contrast, X-ray studies revealed that coordination polymer [Zn2(NO3−)(btc)(nmp)2(py)]n (2) had a larger void that was inhabited by coordinated py and NMP. In addition, the form of the two coordination polymers changed from two-dimensional to three-dimensional with transformation of the ligand geometry.

Homochiral coordination polymers with nanotubular channels for enantioselective sorption of chiral guest molecules

2014 ◽  
Vol 38 (3) ◽  
pp. 880 ◽  
Author(s):  
Koichi Tanaka ◽  
Yuki Kikumoto ◽  
Naoki Hota ◽  
Hiroki Takahashi
Keyword(s):  
Coordination Polymers ◽  
Guest Molecules
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