A5088581254- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- CO2 Reduction Techniques and Catalysts
- Organometallic Complex Synthesis and Catalysis
- Advanced Photocatalysis Techniques
- Electrocatalysts for Energy Conversion
- Synthesis and characterization of novel inorganic/organometallic compounds
- Inorganic Chemistry and Materials
- Radical Photochemical Reactions
- Electrochemical Analysis and Applications
- Advanced oxidation water treatment
- Covalent Organic Framework Applications
- Magnetism in coordination complexes
- TiO2 Photocatalysis and Solar Cells
- Per- and polyfluoroalkyl substances research
- Catalytic Processes in Materials Science
- Metal-Catalyzed Oxygenation Mechanisms
- Pharmaceutical and Antibiotic Environmental Impacts
- Coordination Chemistry and Organometallics
- Biosensors and Analytical Detection
- Fluoride Effects and Removal
- N-Heterocyclic Carbenes in Organic and Inorganic Chemistry
- Analytical chemistry methods development
- Dye analysis and toxicity
- Cassava research and cyanide
Rice University
2025
The University of Texas at El Paso
2022-2024
Systems Engineering Research Center
2023-2024
Federico Santa María Technical University
2019-2022
National Polytechnic School
2017-2019
Perfluorooctanoic acid (PFOA) is an artificial chemical of global concern due to its high environmental persistence and potential human health risk. Electrochemical methods are promising technologies for water treatment because they efficient, cheap, scalable. The electrochemical reduction PFOA one the current methodologies. This process leads defluorination carbon chain hydrogenated products. Here, we describe a mechanistic study in gold electrodes. By using linear sweep voltammetry (LSV),...
The constant development of computer systems and infrastructure has allowed computational chemistry to become an important component environmental research. In the past decade, application quantum classical mechanical calculations model understand increased exponentially. this review, we highlight various applications techniques in areas research (e.g., wastewater/air treatment, sensing, biodegradation). We briefly describe each approach, starting with principle methods followed by molecular...
We introduce the arsenido ligand onto TiIV ion, yielding a remarkably covalent Ti≡As bond and parent arsinidene Ti═AsH moiety. An anionic is assembled via reductive decarbonylation involving discrete TiII salt [K(cryptand)][(PN)2TiCl] (1) (cryptand = 222-Kryptofix) Na(OCAs)(dioxane)1.5 in thf/toluene to produce mixed alkali ate-complex [(PN)2Ti(As)]2(μ2-KNa(thf)2) (2) [K(cryptand)][(PN)2Ti≡As] (3) featuring terminal ligand. Protonation of 2 or 3 with various weak acids cleanly forms...
Electrochemical water splitting offers the potential for environmentally friendly hydrogen and oxygen gas generation.
To reveal, quantify, and rationalize the effect of backbone π-extension on ligand redox activity, we studied ground- excited-state reduction potentials eight ruthenium photoredox catalysts with formula Ru(ppy)
Room temperature photolysis of the bis(azide)cobaltate(II) complex [Na(THF)x][(ketguan)Co(N3)2] (ketguan = [(tBu2CN)C(NDipp)2]−, Dipp 2,6-diisopropylphenyl) (3a) in THF cleanly forms binuclear cobalt nitride Na(THF)4{[(ketguan)Co(N3)]2(μ-N)} (1). Compound 1 represents first example an isolable, bimetallic complex, and it has been fully characterized by spectroscopic, magnetic, computational analyses. Density functional theory supports a CoIII═N═CoIII canonical form with significant π-bonding...
Abstract The discharge of effluents from the textile industry into water bodies has a severe impact on quality. photocatalytic degradation two typical azo dyes used in (Acid Brown 83 and Direct Blue 1) was studied using catalysts titanium dioxide (TiO
Meropenem (MER), a carbapenem, is considered last-resort antibiotic. Its presence in water bodies, together with other antibiotics, has brought about environmental problems related to the destruction of natural microorganisms and development antibiotic-resistant bacteria. Herein, degradation MER by heterogeneous photocatalysis using TiO2 immobilized on fiberglass substrates reported. Morphological characterization was performed Scanning Electron Microscopy (SEM). Three pH values (4.0, 5.7,...
Abstract Essential oils are liquid mixtures of volatile compounds extracted from plants. Their quality is usually controlled via gas chromatography (GC), although with limitations when adulterants nonvolatile substances. The essential lavender ( Lavandula angustifolia Mill.), peppermint Mentha piperita L.), patchouli Pogostemon cablin Benth), and their adulterated versions were measured by GC coupled to flame ionization detector (GC‐FID) Raman spectroscopy. Canola oil, a substance, was used...
Abstract Decarbonylation along with E atom transfer from Na(OCE) (E=P, As) to an isocyanide coordinated the tetrahedral Ti II complex [(Tp t Bu,Me )TiCl], yielded )Ti(η 3 ‐ECNAd)] species (Ad=1‐adamantyl, Tp Bu,Me− =hydrotris(3‐ tert ‐butyl‐5‐methylpyrazol‐1‐yl)borate). In case of E=P, cyanophosphide ligand displays nucleophilic reactivity toward Al(CH ) ; moreover, its bent geometry hints a reduced Ad−NCP 3− resonance contributor. The analogous and rarer mono‐substituted cyanoarsenide...
A dinuclear hafnium complex containing the parent imido ligand [(PN)(PNC)Hf=NH{μ2 -K}]2 (2) (PN- =(N-(2-Pi Pr2 -4-methylphenyl)-2,4,6-Me3 C6 H2 ; PNC2- -4-methylphenyl)-2,4,6-CH2 Me2 ), was prepared by reduction of bisazide trans-[(PN)2 Hf(N3 )2 ] (1) with two equiv KC8 . Encapsulation K+ in 2 crown-ether or cryptand affords first discrete salt [K(encap)][(PN)(PNC)Hf≡NH] (encap=18-crown-6(THF)2 , 3; 2,2,2-Kryptofix, 4), featuring a terminal imide and possessing some shortest Hf-N bond...
Abstract The nitrido‐ate complex [(PN) 2 Ti(N){μ ‐K(OEt )}] ( 1 ) (PN − =(N‐(2‐P i Pr ‐4‐methylphenyl)‐2,4,6‐Me 3 C 6 H reductively couples CO and isocyanides in the presence of DME or cryptand (Kryptofix222), to form rare, five‐coordinate Ti II complexes having a linear cumulene motif, [K(L)][(PN) Ti(NCE)] (E=O, L=Kryptofix222, ); E=NAd, L=3 DME, E=N t Bu, 4 5 )). Oxidation – with [Fc][OTf] afforded an isostructural III center containing neutral cumulene, E=NAd 7 ), N Bu 8 ))...
In this computational study, the electronic structure changes along oxidative and reductive quenching cycles of a homoleptic heteroleptic prototype Cu(I) photoredox catalyst, namely, [Cu(dmp)2]+ (dmp = 2,9-dimethyl-1,10-phenanthroline) [Cu(phen)(POP)]+ (POP bis [2-(diphenylphosphino)phenyl]ether), are scrutinized characterized using quasi-restricted orbitals (QROs), electron density differences, spin densities. After validating our functional theory-based protocol, equilibrium geometries...
The increasing presence of chemical contaminants in the environment due to demands associated with a growing population and industrial development poses risks human health their exposure.
Cyanidation is widely used by several gold mining companies worldwide.Since its wastewaters contain cyanide, appropriate treatments must be applied to remove this pollutant.Combinations of ozone (O3), hydrogen peroxide (H2O2) and activated carbon (AC) can for purpose.In work, synthetic cyanide solutions ([CN¯]o = 15.37 mM) were treated using O3 the combinations O3/H2O2, O3/AC O3/H2O2/AC under alkaline conditions.O3 was produced from dry oxygen at a rate 2.51 g O3/h ([O3] gas-phase 6.9x10 -2...
Abstract Decarbonylation along with E atom transfer from Na(OCE) (E=P, As) to an isocyanide coordinated the tetrahedral Ti II complex [(Tp t Bu,Me )TiCl], yielded )Ti(η 3 ‐ECNAd)] species (Ad=1‐adamantyl, Tp Bu,Me− =hydrotris(3‐ tert ‐butyl‐5‐methylpyrazol‐1‐yl)borate). In case of E=P, cyanophosphide ligand displays nucleophilic reactivity toward Al(CH ) ; moreover, its bent geometry hints a reduced Ad−NCP 3− resonance contributor. The analogous and rarer mono‐substituted cyanoarsenide...
The electronic structures of the ground and excited states involved in oxidative reductive quenching cycles 12 relevant ruthenium, iridium, copper photoredox catalysts (S0, T1, Dox, Dred) are characterized using recently developed effective oxidation state (EOS) analysis, allowing monitoring metal ligand (OSs) along catalytic cycles. formal assignments derived from EOS analysis agreement with those commonly assumed for these complexes both states. Rather clean separate ligand- metal-centered...
Azo dyes are recalcitrant pollutants present in effluents of several industries. Due to their chemical stability, degradation efficiency is not satisfactory by conventional technologies. Advanced oxidation processes, such as Fenton, can be applied for the removal compounds. However, these methods still costly. In this work, Fenton and precipitation treatments were combined (i.e., decolorization) direct blue 1 (DB1), an option decrease operational costs. The individual studied separately...