Physical Chemistry Commons^™

Cobalt, Molybdenum, And Nickel Complexes, Natural Zeolites, Epoxidation, And Free Radical Reactions, Nicholas K. Newberry

Dissertations, Master's Theses and Master's Reports

Chapter 2 is based on the synthesis and study of the compounds of the bidentate ligand ((5-phenyl-1H-pyrazol-3-yl)methyl)phosphine oxide with molybdenum and cobalt as the transition metal. The complexes were analyzed via FTIR, NMR, UV-Vis, Fluorescence Spectroscopy, TGA, DFT, and XRD. Chapter 3 resulted in the synthesis of the complexes [Ni(II)SSRRL](PF6)2 and [Ni(II)SRSRL](Cl)(PF6) of which [Ni(II)SRSRL](Cl)(PF6) had not been previously analyzed. Both products were analyzed via FTIR, NMR, UV-Vis, CV, DFT, and XRD. Chapter 5 contains the results of the characterization and modification of 4 natural zeolites (AZLB-Na, AZLB-Ca, NM-CA, NV-Na) from the United States in an attempt to increase the …

Visualization Without Vision – How Blind And Visually Impaired Students And Researchers Engage With Molecular Structures, Croix J. Laconsay, Henry B. Wedler, Dean J. Tantillo

Journal of Science Education for Students with Disabilities

This article examines the tools and techniques currently available that enable blind and visually impaired (BVI) individuals to visualize three-dimensional objects used in learning chemistry concepts. How BVI individuals engage with and visualize molecular structure is discussed and recent tactile (or haptic) and auditory methods for visualization of various chemistry concepts are summarized. Remaining challenges for chemistry education researchers are described with the aim of highlighting the potential value of educational research in further enabling BVI students to pursue careers in science, technology, engineering, and mathematics (STEM) fields.

Behavior Of Iron Species And Free Radicals In Ambient Pm2.5 And Pm Surrogates, Cholena Russo Ren

LSU Doctoral Dissertations

Air pollution, consisting of ambient particulate matter (PM), has been a rising health concern to the public. PM contains free radicals and have been known to damage human cells; however, their free radical chemistry is not well understood. This study utilized various vacuum and/or heat treatments to study free radical behavior in PM_2.5 (particulate matter with an aerodynamic diameter of 2.5 mm or less) and PM surrogates and simulated sunlight effects on PM_2.5. To mimic PM, iron-silica catalysts (i.e. PM surrogates) were synthesized and real-world ambient PM_2.5 was selected. The free radicals in PM_{2.5 …}

Improving Biodiesel Through Pyrolysis: Direct Dynamics Investigations Into Thermal Decomposition Of Methyl Linoleate, Michael Bakker

Graduate Theses/Dissertations

Dependence on petroleum and petrochemical products is unsustainable as it is both a finite resource and environmentally hazardous. Biodiesel is a proposed alternative, but has complications including possessing poor cold weather operability and lacking the ability to supplement other petrochemical products (e.g., ethylene, hexane, etc.) relied upon in society. Pyrolysis of biodiesel has demonstrated the formation of smaller hydrocarbons comprising many of these petrochemical products. Our aim is to computationally simulate the pyrolysis of methyl linoleate, the most prevalent component in biodiesel formed in the US (from soybean). We make use of unimolecular direct dynamics describing intramolecular processes, introducing Temperature …

Spectroscopic And Computational Studies Of The Agricultural Active Ingredient Dicamba, James Johnson

Honors Theses

3,6-dichloro-2-methoxy benzoic acid, more commonly known as Dicamba, is the active ingredient in an array of pesticides used on farmlands across the globe. Dicamba’s mode of action works by mimicking the plant hormone auxin, which is synonymous to growth hormones in mammals. The mimicking of auxin results in excessive elongation and growing, which is eventually fatal for plants when the rate of growth can no longer be sustained. Dicamba has risen in prominence in recent years due to drift damage as a result of Dicamba’s high volatility. Having the ability to identify Dicamba is crucial for the agricultural industry. The …

Synthesis And Fabrication Of Trimetallic (Ru-Mn Co) Catalyst Supported On Tio2 And Ni(Oh)2 Thin Films For Photoelectrochemical Applications, Che Mat Ahmad Nazeer

Student Works (2020-2029)

Anatase supported heterogeneous photocatalyst consisting of RuO2, MnO2 and Co3O4 (1:13:13 ratio) was synthesized by precipitation method. The film of the prepared catalyst was fabricated by electrophoretic deposition technique in an aqueous solution of 0.1 mM ammonia and tested for photoelectrocatalytic (PEC) oxidation of methanol in 0.1M KOH under visible light irradiation. The as-prepared photocatalyst was characterized by FTIR, UV–Vis, XRD, Raman spectroscopy, FESEM/EDX, TEM, BET, XPS and TPR. The PEC study by cyclic voltammetry indicates that the oxidation of methanol to CO2 and H2O upon exposure to visible light occurs between 400 and 800 nm. The smaller value of …

Ni-Au Anodic Nano-Electrocatalyst For Direct Glucose Fuel Cells, Islam M. Al-Akraa, Aya S. Abdulhalim Eng, Yassr M. Asal Mr, Ahmad M. Mohammad Prof

Chemical Engineering

This study aims at the sequential assembling of a nickel oxide (NiOx: cauliflower-like nanostructure, 90 nm) and gold (Au; spherical, 95 nm in an average particle size) onto the GC surface nanocatalyst on a glassy carbon (GC) electrode (will be abbreviated as Ni-Au/GC) for the glucose electro−oxidation (GO); the principal anodic reaction in the direct glucose fuel cells (DGFCs). The charge of the Ni deposition on the GC surface (will be abbreviated as Ni/GC electrode) was initially optimized to obtain the highest catalytic activity toward GO which attained at (339.8 Ag−1) by applying 15 mC in the Ni deposition. Yet, …

Enhanced Glucose Electrooxidation At Ni-Cu Binary Oxide Nanocatalyst, Islam M. Al-Akraa, Mahmoud M. Abouzaid Eng, Yaser M. Asal Mr, Ahmad M. Mohammad Prof

Chemical Engineering

The aim of this study is to fabricate a nickel (NiOx) and copper (CuOx) oxide nanocatalyst on a glassy carbon (GC) electrode (will be abbreviated as Ni-Cu/GC) for glucose oxidation (GO). A sequential electrodepositon mode was applied to assemble NiOx and CuOx in the fabrication scheme. The optimization of Ni loading on the GC surface (will be abbreviated as Ni/GC electrode) was achieved first to attain the maximum catalytic efficiency in terms of the specific current toward GO. This (409 Ag1)was obtained by applying 15 mC/cm2 in the deposition of Ni. However, unfortunately the NiOx/GC could not support a long-term …

Development Of Novel Adsorbent For Industrial Waste Water Treatment, Islam M. Al-Akraa, Hassan M. Shehata Eng, Dalia A. Ali Eng., Hoda A. Elsawy Dr

Chemical Engineering

The main objective of this research project is to perform some experimental procedures to inform the ability of the novel adsorbent used in this project. The chemical modification of the adsorbent is the chemical oxidation of pure powder chitosan using some specific redox pairs which are potassium dichromate and sodium bisulphite. After preparing the modified chitosan, there are some parameters that must be discussed during the adsorption process. The first parameter is the time parameter, showing experimentally the optimum time for adsorption under certain conditions by collecting values of absorbance and concentration of thymol blue adsorbed after the process from …

Effect Of The Electrodeposition Potential Of Platinum On The Catalytic Activity Of A Pt/Gc Catalyst Toward Formic Acid Electro−Oxidation, Islam M. Al-Akraa, Bilquis A. Al-Qodami Ms., Ahmad M. Mohammad Prof

Chemical Engineering

The electrocatalytic activity of platinum (Pt)–modified glassy carbon (GC) (referred as Pt/GC) electrodes toward the formic acid electro−oxidation (FAO) was investigated. The Pt deposition on the GC substrate was carried out by a potentiostatic technique at different potentials (from 0.2 V to −0.2 V vs. Hg/Hg2Cl2/KCl (sat.) reference electrode) and the corresponding influence on the catalytic activity toward FAO was monitored. The electrocatalytic inspection revealed a potential role for the Pt deposition potential in boosting the catalytic efficiency of the catalyst toward FAO and further in mitigating the CO poisoning that eventually deactivate the catalyst. Interestingly, the highest activity toward …

A Spin-Coated Tiox/Pt Nanolayered Anodic Catalyst For The Direct Formic Acid Fuel Cells, Islam M. Al-Akraa, Ahmad M. Mohammad Prof

Chemical Engineering

The CO poisoning of the platinum anodic catalyst which typically functions the catalytic deterioration of the direct formic acid fuel cells could be minimized with a simple modification for Pt with titanium oxide. The fabrication scheme involved the spin-coating of a Ti precursor onto a Pt thin layer that was physically sputtered onto a Si substrate. The whole assembly was subjected to a post-annealing processing to produce the TiOx layer (60 nm) in a porous structure (mostly Anatase) atop of the Pt surface. The porous nature of the TiOx layer permitted the participation of Pt in the electrocatalysis of the …

Ionic Liquid Functionalized Β-Cyclodextrin Modified Electrode As Electrochemical Sensor For 2,4-Dichlorophenol, Fairuz Liyana Mohd Rasdi

Student Works (2020-2029)

This thesis described the synthesis and characterization of ionic liquid monofunctionalized β-cyclodextrin (β-CD-1-BIMOTs) and ionic liquid difunctionalized β-cyclodextrin (β-CD-2-BIMOTs) for sensor applications. The physical characterizations of these compounds have been conducted using nuclear magnetic resonance (NMR), Fourier transform infra-red (FTIR), energy dispersive x-ray (EDX), x-ray diffraction (XRD) and Brunauer-Emmet-Teller (BET) analyses. These compounds were used as modifiers for carbon paste electrode (CPE). Cyclic voltammetry and chrono-amperometry methods were employed to examine the electrochemical responses of all prepared CPEs. All prepared electrodes show responses towards the target analyte of 2,4-dichlorophenol (2,4-DCP). Both β-CD-1-BIMOTs/CPE and β-CD-2-BIMOTs/CPE give higher current (i) responses compared …

Molecular Dynamics Simulations Of Phase Behaviour And Structural Studies Of Guanidinium Triflate Ionic Liquid And Its Mixture With Water And N-Methyldiethanolamine For Carbon Dioxide Removal, Naimah Haron

Student Works (2020-2029)

Molecular dynamics (MDs) simulations with an all-atom force field have been carried out to understand the phase equilibrium behaviour of aqueous guanidinium triflate [gua][OTf] ionic liquid (IL) (binary system) at 440.15 K, as well as the phase equilibrium behaviour of N-methyl diethanolamine (MDEA) with aqueous [gua][OTf] IL (ternary system) at 298.15 K. This work further elaborated the understanding of absorption mechanism of carbon dioxide (CO2) into ternary system at 298.15 K. For binary system, the simulations measured changes in different physical properties such as density, structural, bonding properties (radial distribution function (RDF)), water clustering and hydrogen bonding) and dynamic property …

Evaluation Of The Mechanisms And Effectiveness Of Nano-Hydroxides, Wood And Dairy Manure-Derived Biochars To Remove Fluoride And Heavy Metals From Water, Anna Rose Wallace, Wenjie Sun Dr, Chunming Su Dr

Civil and Environmental Engineering Theses and Dissertations

The development of effective treatment processes for the removal contaminants, such as fluoride and heavy metals, from polluted water have been urgently needed due to serious environmental health and safety concerns. In this dissertation, a variety of materials including various (hydro)oxide nanomaterials, biochars and surface modified biochar were studied to evaluate their effectiveness and mechanism on removing fluoride or mixed heavy metals from water.

In the Chapter 2, this study investigated the adsorptive removal of fluoride from water using various (hydro)oxide nanomaterials, focusing on ferrihydrite, hydroxyapatite (HAP) and brucite, which have the potential to be used as sorbents for surface …

Production Of Singlet Oxygen (1O2) During The Photochemistry Of Aqueous Pyruvic Acid: The Effects Of Ph And Photon Flux Under Steady-State O2(Aq) Concentration, Alexis J. Eugene, Marcelo I. Guzman

Chemistry Faculty Publications

The photochemistry of pyruvic acid (PA) in aqueous atmospheric particles contributes to the production of secondary organic aerosols. This work investigates the fate of ketyl and acetyl radicals produced during the photolysis (λ ≥ 305 nm) of 5-100 mM PA under steady state [O₂(aq)] = 260 μM (1.0 ≤ pH ≤ 4.5) for photon fluxes between 1 and 10 suns. The radicals diffuse quickly into the water/air interface of microbubbles and react with dissolved O₂ to produce singlet oxygen (¹O₂^*). Furfuryl alcohol is used to trap and bracket the steady-state production of …

A Simple And Effective Way To Overcome Carbon Monoxide Poisoning Of Platinum Surfaces In Direct Formic Acid Fuel Cells, Yaser M. Asal Mr., Islam M. Al-Akraa Dr, Sohair A. Darwish Ms

Chemical Engineering

A glassy carbon (GC) electrode modified with multi-walled carbon nanotubes (MWCNTs) and platinum nanoparticles (PtNPs), Pt/MWCNTs-GC, has been introduced for formic acid electro-oxidation (FAO). A similar loading of PtNPs has been conserved for a proper comparison between the Pt/MWCNTs-GC and the unmodified Pt/GC electrodes. The modification with MWCNTs could enhance the loading of PtNPs onto the GC electrode in a way that minimizes its agglomeration and increases its dispersion in the CNTs network. This not only increases the surface area exposed to the reaction but also interrupts the contiguity of the Pt active sites minimizing the adsorption of the poisoning …

A Promising Modification Of Pt Surfaces With Cnts For Decreasing Poisoning Impact In Direct Methanol Fuel Cells, Yaser M. Asal Mr., Islam M. Al-Akraa Dr, Aya A. Khalifa Ms.

Chemical Engineering

Direct methanol fuel cells (DMFCs) are clean energy sources that have many applications due to the high energy density of methanol as a fuel. However, this type of fuel cells (FCs) has limitations that are preventing it from being commercialized. One such limitation is the adsorption of intermediates such as CO into the surface of the Platinum (Pt) catalyst during methanol oxidation (MO) which deactivates its active sites, where the reaction is taking place, and leads to poisoning of the electrode over the long term. In this study, multi-walled carbon nanotubes (MWCNTs) have been introduced to the Pt-modified glassy carbon …

The Spectroscopic And Computational Exploration Of Sulfur Hydrogen Bonding, Andrew Yoonkeun Lee

Honors Projects

Hydrogen bonds are a subset of non-covalent interactions that occur between X-H — Y, in which X and Y are the very electronegative atoms. In our research, we examine the more unconventional hydrogen bond-like interactions of thiol (SH) containing molecules using vapor-phase infrared (IR) spectroscopy and ab initio computational chemistry. When the SH hydrogen bond donor complexes to a hydrogen bond acceptor, a red shift of the SH stretching mode emerges. An anharmonic oscillator local mode model is applied to the ethanethiol-trimethylamine dimer, and we determine that any IR evidence of dimerization in our experiment is likely obscured by the …

Crystal Structure Of Zymonic Acid And A Redetermination Of Its Precursor, Pyruvic Acid, Dominik Heger, Alexis J. Eugene, Sean R. Parkin, Marcelo I. Guzman

Chemistry Faculty Publications

The structure of zymonic acid (systematic name: 4-hy­droxy-2-methyl-5-oxo-2,5-di­hydro­furan-2-carb­oxy­lic acid), C₆H₆O₅, which had previously eluded crystallographic determination, is presented here for the first time. It forms by intra­molecular condensation of parapyruvic acid, which is the product of aldol condensation of pyruvic acid. A redetermination of the crystal structure of pyruvic acid (systematic name: 2-oxo­propanoic acid), C₃H₄O₃, at low temperature (90 K) and with increased precision, is also presented [for the previous structure, see: Harata et al. (1977). Acta Cryst. B33, 210–212]. In zymonic acid, the hy­droxy­lactone ring …

The Investigation Of Methylidyne Radical (Ch) Reactions With Furan, 2-Methylfuran, And 2,5-Dimethlyfuran And The Photoionization And Photodissociation Of Valeric Acid, Erica Carrasco

Master's Theses

This thesis presents the combustion study of three furanic compounds using synchrotron radiation coupled with multiplexed photoionization mass spectrometry at 298 K. The experiments were performed at the Chemical Dynamics Beamline 9.0.2 at the Advanced Light Source of the Lawrence Berkeley National Laboratory. The reactions of the three furanic compounds with methylidyne (CH) radicals were analyzed based on their photoionization spectra and kinetic profiles.

Additionally, the unimolecular dissociation of valeric acid was also studied and presented in this work using the double imaging photoelectron photoion spectrometry (i2PEPICO) coupled with synchrotron radiation from the VUV beamline. The experiments were carried out …

The Effects Of Reactant Concentration And Air Flow Rate In The Consumption Of Dissolved O2 During The Photochemistry Of Aqueous Pyruvic Acid, Alexis J. Eugene, Marcelo I. Guzman

Chemistry Faculty Publications

The sunlight photochemistry of the organic chromophore pyruvic acid (PA) in water generates ketyl and acetyl radicals that contribute to the production and processing of atmospheric aerosols. The photochemical mechanism is highly sensitive to dissolved oxygen content, [O₂(aq)], among other environmental conditions. Thus, herein we investigate the photolysis (λ ≥ 305 nm) of 10–200 mM PA at pH 1.0 in water covering the relevant range 0 ≤ [O₂(aq)] ≤ 1.3 mM. The rapid consumption of dissolved oxygen by the intermediate photolytic radicals is monitored in real time with a dissolved oxygen electrode. …

Effect Of Dissolved Salts On The Physiochemical Properties Of Deep Eutectic Solvents, Eleanor Haeska, Megan Radtke

The Journal of Undergraduate Research

Green chemistry seeks to make chemical procedures safer, improve reaction efficiency, and utilize environmentally safe reagents. Deep eutectic solvents (DES) have recently become of great interest due to their eco-friendly nature and functionality as solvent for various chemical processes. One key characteristic of DES is their conductive nature and depressed melting point. This project sought to determine the effect of the addition of aqueous solutions of halides on the conductivity of two selected types of DES. Also assessed were the polarity and viscosity of the DES. It can be concluded that aqueous halides had no measureable effect on the conductivity …

Facile Synthesis Of A Tailored-Designed Au/Pt Nanoanode For Enhanced Formic Acid, Methanol, And Ethylene Glycol Electrooxidation, Yaser M. Asal Mr., Islam M. Al-Akraa Dr, Ahmad M. Mohammad Prof

Chemical Engineering

The recent revolution in nanoscience and global energy demand have motivated research in liquid fuel cells (LFCs) due to their enhanced efficiency, moving flexibility, and reduced contamination. In line with this advancement, a glassy carbon (GC) electrode was modified with platinum (PtNPs) and gold (AuNPs) nanoparticles to fabricate a nanosized anode for formic acid, methanol, and ethylene glycol electrooxidation (abbreviated, respectively, to FAO, MO, and EGO), of the key anodic reactions of LFCs. The deposition sequence of the catalyst’s layers was important where the Au/Pt/GC electrode (in which PtNPs were directly deposited onto the GC surface followed by AuNPs—surface coverage …

A Promising Modification Of Pt Surfaces With Cnts For Decreasing Poisoning Impact In Direct Methanol Fuel Cells, Islam M. Al-Akraa Dr., Yaser M. Asal Mr, Aya A. Khalifa Ms.

Chemical Engineering

Direct methanol fuel cells (DMFCs) are clean energy sources that have many applications due to the high energy density of methanol as a fuel. However, this type of fuel cells (FCs) has limitations that are preventing it from being commercialized. One such limitation is the adsorption of intermediates such as CO into the surface of the Platinum (Pt) catalyst during methanol oxidation (MO) which deactivates its active sites, where the reaction is taking place, and leads to poisoning of the electrode over the long term. In this study, multi-walled carbon nanotubes (MWCNTs) have been introduced to the Pt-modified glassy carbon …

Enhanced Electro-Oxidation Of Methanol At Pt-Au Nanocatalyst For Direct Methanol Fuel Cells, Islam M. Al-Akraa Dr., Yaser M. Asal Mr, Ahmad M. Mohammad Prof

Chemical Engineering

In this investigation, a Pt-Au nanocatalyst prepared by the coelectrodeposition of Pt (PtNPs) and Au (AuNPs) nanoparticles is assembled onto a glassy carbon (GC) electrode for efficient methanol oxidation (MO). Several molar ratios between PtNPs and AuNPs have been used and the corresponding catalytic activity towards MO is tracked. The Pt1:Au1 catalyst showed the highest catalytic activity (5 times higher oxidation peak current (Ip) and a 126 mV negative shift in the onset potential (Eonset) toward MO). The catalyst’s morphology, composition and activity are investigated and the ehancement mechanism is recognized.

A Simple And Effective Way To Overcome Carbon Monoxide Poisoning Of Platinum Surfaces In Direct Formic Acid Fuel Cells, Islam M. Al-Akraa Dr., Yaser M. Asal Mr, Sohair A. Darwish Ms

Chemical Engineering

A glassy carbon (GC) electrode modified with multi-walled carbon nanotubes (MWCNTs) and platinum nanoparticles (PtNPs), Pt/MWCNTs-GC, has been introduced for formic acid electro-oxidation (FAO). A similar loading of PtNPs has been conserved for a proper comparison between the Pt/MWCNTs-GC and the unmodified Pt/GC electrodes. The modification with MWCNTs could enhance the loading of PtNPs onto the GC electrode in a way that minimizes its agglomeration and increases its dispersion in the CNTs network. This not only increases the surface area exposed to the reaction but also interrupts the contiguity of the Pt active sites minimizing the adsorption of the poisoning …

Recent Trends In Stratospheric Chlorine From Very Short‐Lived Substances, Ryan Hossaini, Elliot Atlas, Sandip S. Dhomse, Martyn P. Chipperfield, Peter F. Bernath, Anton M. Fernando, Jens Mühle, Amber A. Leeson, Stephen A. Montzka, Wuhu Feng

Chemistry & Biochemistry Faculty Publications

Very short‐lived substances (VSLS), including dichloromethane (CH₂Cl₂), chloroform (CHCl₃), perchloroethylene (C₂Cl₄), and 1,2‐dichloroethane (C₂H₄Cl₂), are a stratospheric chlorine source and therefore contribute to ozone depletion. We quantify stratospheric chlorine trends from these VSLS (VSLCl_tot) using a chemical transport model and atmospheric measurements, including novel high‐altitude aircraft data from the NASA VIRGAS (2015) and POSIDON (2016) missions. We estimate VSLCl_tot increased from 69 (±14) parts per trillion (ppt) Cl in 2000 to 111 (±22) ppt Cl in 2017, with >80% delivered to …

Novel Adsorbent For Industrial Wastewater Treatment Applications, Islam M. Al-Akraa, Ahmed Y. Zakaria Eng, Dalia A. Ali Eng, Hany A. Elazab Dr, Hoda A. Elsawy Dr

Chemical Engineering

In this study, the hydroxyapatite powder is investigated for both of methylene blue and thymol blue in aqueous solution. The physical and chemical properties of the adsorbent were evaluated systematically using the different techniques including Microsoft Excel programming, linear regression model and also the coefficient of determination. Batch adsorption experiments were conducted to determine the effect of contact time, solution pH, initial dye concentrations, and also the adsorbent dosage on adsorption. The adsorption kinetic parameters confirmed the better fitting of pseudo-second order kinetic model for both of methylene blue and thymol blue. The isotherm data of methylene blue and thymol …

Temperature-Dependent Kinetic Studies Of Arsenicals Adsorption From Solution To Hematite Nanoparticles, Sara Soldoozy

Theses and Dissertations (Comprehensive)

Surface chemistry is the study of the chemical and physical phenomena that transpire at interfaces such as liquid-solid, solid-gas, liquid-gas, and liquid-liquid. To study the reactions occurred at the surfaces, surface sensitive techniques come to play. Adsorption of arsenical compounds (liquid adsorbate), particularly arsenate (iAs) and dimethylarsinic acid (DMA), to the surface of iron bearing materials (solid adsorbent) that frequently are found in geosorbents such as hematite (Fe₂O₃) has been studied in this thesis. Arsenical compounds can pollute the environment through natural sources and anthropogenic activities, and ultimately contaminate water. Absorbing these pollutants to a material …

The Investigation Of The Chlorine Initiated Oxidation Of 2-Phenylethanol And Stability Of Superalkali Lithium Substituted Silyls., Adam Otten

Master's Theses

This thesis investigates the combustion potential of 2-phenylethanol and the superalkali properties of small lithium substituted silicon compounds. All combustion experiments were performed at the Advanced Light Source of Lawrence Berkeley National Laboratory at the Chemical Dynamics Beamline 9.0.2. The chlorine initiated oxidation of 2PE was investigated at 298 and 550 K using a multiplex photoionization mass spectrometer, coupled with the tunable vacuum ultraviolet radiation. Reaction products were identified using kinetic time traces and photoionization spectra.

Additionally, the stability of small superalkali silicon-lithium compounds has also been investigated. All structures and energetics were calculated using the CBS-QB3 composite method.

The …