- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Metal-Organic Frameworks: Synthesis and Applications
- Magnetism in coordination complexes
- Metal complexes synthesis and properties
- Crystal structures of chemical compounds
- Crystallography and molecular interactions
- Lanthanide and Transition Metal Complexes
- Synthesis and Characterization of Heterocyclic Compounds
- Carbon Dioxide Capture Technologies
- Organic and Molecular Conductors Research
- Membrane Separation and Gas Transport
- Polyoxometalates: Synthesis and Applications
- Covalent Organic Framework Applications
- Per- and polyfluoroalkyl substances research
- Porphyrin and Phthalocyanine Chemistry
- Machine Learning in Materials Science
- Synthesis and biological activity
- Click Chemistry and Applications
- Electrochemical sensors and biosensors
- Metal-Catalyzed Oxygenation Mechanisms
- Mesoporous Materials and Catalysis
- Toxic Organic Pollutants Impact
- CO2 Reduction Techniques and Catalysts
- Phenothiazines and Benzothiazines Synthesis and Activities
The University of Texas at Dallas
2023-2024
Clarkson University
2014-2023
State University of New York at Potsdam
2016-2017
Texas A&M University
2011-2014
Kiel University
2001-2011
Hydrothermal reactions of copper(II) acetate, tetrazolate-5-carboxylate (tzc), and the neutral N-donor spacer ligand 1,3-di(4-pyridyl)propane (dpp) lead in a single reaction vial to simultaneous formation three different single-crystalline solvates [Cu(tzc)(dpp)]n·0.5C6H14·0.5H2O (1), [Cu(tzc)(dpp)]n·4.5H2O (2), [Cu(tzc)(dpp)]n·1.25C6H14 (3). All structures were characterized by crystal X-ray diffraction. None these can be prepared as phase-pure bulk materials, but conditions similar those...
Per- and polyfluoroalkyl substances (PFASs) are an emerging class of contaminants raising increased levels concern due to their toxic, bioaccumulative, persistent nature. Current solutions for removing PFAS from contaminated water rely on adsorption-based methods where commonly used sorbents, example, activated carbons ion-exchange resins, exhibit low adsorption capacity a long equilibration time. Motivated by the generally deficient performance these current materials, this work addresses...
Harmful per- and polyfluoroalkyl substances (PFAS) are ubiquitously detected in aquatic environments, but their remediation remains challenging. Metal–organic frameworks (MOFs) have been recently identified as an advanced material class for the efficient removal of PFAS, little is known about fundamentals PFAS@MOF adsorption process. To address this knowledge gap, we evaluated performance 3 different MOFs 8 PFAS classes from aqueous film-forming foam-impacted groundwater samples obtained 11...
Single-molecule trap: Easy activation of the water-stable metal–organic framework PCN-200 provides a new route to low-energy selective CO2 capture through stimuli-responsive adsorption behavior. This elastic trapping effect was confirmed by single-component and binary gas-adsorption isotherms crystallographic determination.
The prototypical single-molecule magnet (SMM) molecule [Mn12O12(O2CCH3)16(OH2)4] was incorporated under mild conditions into a highly porous metal–organic framework (MOF) matrix as proof of principle for controlled nanostructuring SMMs. Four independent experiments revealed that the SMM clusters were successfully loaded in MOF pores, namely synchrotron-based powder diffraction, physisorption analysis, and in-depth magnetic thermal analyses. results provide incontrovertible evidence...
The structural characterization of metal–organic frameworks (MOFs) by powder X-ray diffraction can be challenging. Even more difficult are studies guest solvent or gas molecules inside the MOF pores. Hence, recently we successfully designed several new approaches for investigations porous MOFs. These methods use structure envelopes, which easily generated from factors a few (1–10) most intense low index reflections. However, interesting results have been found using difference envelope...
Two isostructural microporous zwitterionic metal–organic frameworks (ZW MOFs), {[M(bdcbpy)(OH2)4]·4H2O}n with M = Mn (1) and Ni (2), were synthesized by the rational design of flexible anionic viologen derivate, 1,1′-bis(3,5-dicarboxybenzyl)-4,4′-bipyridinium dibromide dihydrate solvate (H4bdcbpyBr2·2H2O), its self-assembly metal(II) acetates in an aqueous medium. Single-crystal structure analyses revealed that both compounds exhibit three-dimensional hydrogen-bonded supramolecular...
Practical applications involving the magnetic bistability of single-molecule magnets (SMMs) for next-generation computer technologies require nanostructuring, organization, and protection nanoscale materials in two- or three-dimensional networks, to enable read-and-write processes. Owing their porous nature structural long-range order, metal–organic frameworks (MOFs) have been proposed as hosts facilitate these efforts. Although probing channels MOF composites using indirect methods is well...
A near-infrared (NIR) mechanophore was developed and incorporated into a poly(methyl acrylate) chain to showcase the first force-induced NIR chromism in polymeric materials. This mechanophore, based on benzo[1,3]oxazine (OX) fused with heptamethine cyanine moiety, exhibited mechanochromism solution, thin-film, bulk states. The mechanochemical activity validated using UV–vis–NIR absorption/fluorescence spectroscopies, gel permeation chromatography (GPC), NMR, DFT simulations. Our work...
Coexistence of metamagnetism and slow relaxation magnetization is a very rare phenomenon, which found in the title compound that accessible through thermal decomposition reaction precursors with terminally N-bonded anions bidentate ligands. The picture shows magnetism for H>HC.
Abstract In this report a rational route to coordination polymers that can show cooperative magnetic phenomena is presented. approach compounds based on transition metal cations, small sized terminal N‐bonded anionic ligands and additional neutral N‐donor co‐ligands are heated, which lead the formation of intermediates, in cations linked by ligands. Predominantly, use method for synthesis bridged thio‐ selenocyanato described article but it also be extended preparation other compounds. most...
Reaction of FeCl(2)·4H(2)O with KNCSe and pyridine in ethanol leads to the formation discrete complex [Fe(NCSe)(2)(pyridine)(4)] (1) which Fe(II) cations are coordinated by two N-terminal-bonded selenocyanato anions four co-ligands. Thermal treatment compound 1 enforces removal half co-ligands leading a ligand-deficient (lacking on neutral co-ligands) intermediate composition [Fe(NCSe)(2)(pyridine)(2)](n) (2) we have found no access liquid phase. Compound 2 is obtained only as...
A new metal–organic framework (MOF) that features photoreactive zwitterionic pyridinium 4-carboxylate units has been designed. Upon UV light irradiation, these form radical triplets permitted by intramolecular electron transfer between anionic carboxylate and cationic groups. This reversible light-responsive behavior creates on/off switchable charge gradients localized at the MOF's major adsorption sites and, thus, allows significant control of gas sorption process. It is shown this strategy...
We created Immense Surface Area Carbons (ISACs) by a novel heat treatment that stabilized the micelle structure in biological based precursor prior to high temperature combined activation – pyrolysis.
Poly- and perfluoroalkyl substances (PFAS) have received considerable attention due to their toxicity, ubiquitous presence, recalcitrance in the environment. The manufacturing disposal of PFAS-containing products has resulted PFAS contamination groundwater drinking water supplies. Substantial interest efforts developing treatment technologies been triggered since are associated with numerous adverse health effects. Physical separation using activated carbon ion exchange is most widely...
Thermal decomposition of the ligand-rich 1:2 precursor solvate (1:2 = ratio between metal and ligand) [{Fe(mu2-bipy-N,N')(NCS)2(H2O)2} x bipy]n (1I) (bipy 4,4-bipyridine) reported recently leads to stepwise formation two new intermediates: a solvate-free compound composition [Fe(NCS)2(bipy)2]n (2) ligand-deficient 1:1 [Fe(NCS)2(bipy)]n (3). The thermal is accompanied by colour change from red (1I), via orange into yellow In crystal structure 2 iron(II) cations are coordinated four N atoms...
Reaction of nickel thiocyanate with pyrimidine at room temperature leads to the formation new ligand-rich 1:2 (1:2 = ratio between metal and ligand) compound [Ni(NCS)(2)(pyrimidine)(2)](n) (2) which is isotypic [Co(NCS)(2)(pyrimidine)(2)](n) (1) reported recently. In crystal structure, Ni(2+) ions are coordinated by four N atoms ligands, connect centers into layers, two terminal bonded thiocyanato anions within slightly distorted octahedra. If synthesis performed under solvothermal...
Reaction of iron(II) thiocyanate with an excess trans-1,2-bis(4-pyridyl)-ethylene (bpe) in acetonitrile at room temperature leads to the formation [Fe(NCS)(2)(bpe)(2)·(bpe)] (1), which is isotypic its Co(II) analogue. Using slightly different reaction conditions literature known compound [Fe(NCS)(2)(bpe)(2)(H(2)O)(2)] (2) was obtained as a phase pure material. Simultaneous differential thermoanalysis and thermogravimetry prove that hydrate 2 transforms into anhydrate [Fe(NCS)(2)(bpe)(2)]...
A viologen based ligand has been explored as a functional building block to synthesize series of nine new zwitterionic metal–organic frameworks with this contribution reporting on their structural, thermal and photochromic properties.
Per- and polyfluoroalkyl substances (PFASs) are aqueous contaminants associated with serious health consequences. Conventional PFAS adsorbents limited by slow kinetics low short-chain uptake, driving interest in high-performing alternatives. Here, β-zeolites were investigated for short- (<C8) long-chain (≥C8) removal. high (CP811C) (CP814E) silica/alumina ratios coated cetyltrimethylammonium bromide (CTAB) or poly(diallyldimethylammonium chloride) (PDADMAC) to enhance retention, represented...
The powerful use of thermal decomposition reactions as tool for the directed synthesis a new selenocyanate is described. This method offers facile access to large number compounds, in which metal centers are bridged by small anionic linker ligands and therefore, cooperative magnetic phenomena can be expected.
Abstract The reaction of nickel thiocyanate with pyrazine in a 1:2 ratio leads to the new ligand‐rich (ratio metal/ligand) compound [Ni(SCN) 2 (pyrazine) ] n ( 1 ), which metal atoms are coordinated by four N ligands and two anions slightly distorted octahedral arrangement. If an excess is used performed under solvothermal conditions, single crystals ligand‐deficient 1:1 compounds [M(SCN) [M = Fe 2I Co 3 Ni 4 )] obtained. Compound isotypic [Mn(SCN) (pyrazine)] but different , also isotypic....
Per- and poly-fluoroalkyl substances (PFAS) are concerning contaminants due to their ubiquity, persistence, toxicity. Conventional PFAS water treatments such as granular activated carbon limited by low adsorption rates capacities. Carbon-based nano-adsorbents with enhanced surface areas address these limitations but hindered high cost Cellulose nanocrystals (CNC) promising adsorbents sustainable sourcing, large areas, amenable properties. In this study, CNC was synthesized from the agro-food...
In order for any material to be considered in a post-combustion carbon capture technology, it must have high working capacities of CO2 from flue gas and regenerable using as little energy possible. Shown here is an easy use method calculate both regeneration energies thereby predict optimal desorption conditions material. As service our authors readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed may re-organized online delivery, but...
Polymorphic phase transitions remain frequently undetected in routine metal-organic framework (MOF) studies; however, their discovery is of major importance interpreting structure-property relationships. We herein report a reversible enantiotropic single-crystal to polymorphic transition new microporous MOF [Eu(BDC)(NO3)(DMF)2]n (H2BDC = 1,4-benzenedicarboxylic acid; DMF dimethylformamide). While modification 1LT at 170 K crystallizes the monoclinic space group P21/c with unit cell...