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Articles 2401 - 2430 of 4489

Full-Text Articles in Physical Chemistry

Semiconductor Nanocrystals: From Quantum Dots To Quantum Disks, Zheng Li Aug 2012

Semiconductor Nanocrystals: From Quantum Dots To Quantum Disks, Zheng Li

Graduate Theses and Dissertations

The bottom-up colloidal synthesis opened up the possibility of finely tuning and tailoring the semiconductor nanocrystals. Numerous recipes were developed for the preparation of colloidal semiconductor nanocrystals, especially the traditional quantum dots. However, due to the lack of thorough understanding to those systems, the synthesis chemistry is still on the empirical level. CdS quantum dots synthesis in non-coordinating solvent were taken as a model system to investigate its molecular mechanism and formation process, ODE was identified as the reducing agent for the preparation of CdS nanocrystals, non-injection and low-temperature synthesis methods developed. In this model system, we not only proved …

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Derivative Couplings With Built-In Electron-Translation Factors: Application To Benzene, Shervin Fatehi, Joseph E. Subotnik Jul 2012

Derivative Couplings With Built-In Electron-Translation Factors: Application To Benzene, Shervin Fatehi, Joseph E. Subotnik

School of Integrative Biological & Chemical Sciences (Formerly Dept. of Chemistry)

Derivative couplings are the essential quantities at the interface between electronic-structure calculations and nonadiabatic dynamics. Unfortunately, standard approaches for calculating these couplings usually neglect electronic motion, which can lead to spurious electronic transitions. Here we provide a general framework for correcting these anomalies by incorporating perturbative electron-translation factors (ETFs) into the atomic-orbital basis. For a range of representative organic molecules, we find that our ETF correction is often small but can be qualitatively important, especially for few-atom systems or highly symmetric molecules. Our method entails no additional computational cost, such that ETFs are “built-in,” and it is equivalent to a …

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Pcet With Bimetallic Systems, Maripaz A. Calderon, Dino Villagran Jul 2012

Pcet With Bimetallic Systems, Maripaz A. Calderon, Dino Villagran

COURI Symposium Abstracts, Summer 2012

Electron-transfer (ET) is one of the simplest chemical events, yet it is a vital process for chemical reactivity. Proton-coupled electron transfer (PCET) is the concerted transfer of protons and electrons which is fundamental in chemical and biological systems and processes in electrochemistry, photosynthesis, and enzymatic activity. Similarly, mixed-valence (MV) systems are pervasive in nature and provide a platform for multiple electron transfers systems in nature. While both fields have been studied extensively, little work has been done on the intersection of the two. This project explores the elegant use of MV bimetallic systems through hydrogen-bonded networks. Using standard Schlenk and …

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Novel Dyad-Fullerene Derivative Used As Acceptor With P3ht In Bulk Heterojunction Solar Cells, Amber D. Berkobien, Luis Echegoyen, Maira Cerón, Danisha Rivera Jul 2012

Novel Dyad-Fullerene Derivative Used As Acceptor With P3ht In Bulk Heterojunction Solar Cells, Amber D. Berkobien, Luis Echegoyen, Maira Cerón, Danisha Rivera

COURI Symposium Abstracts, Summer 2012

Within the world of solar cells, research is rapidly uncovering potential solutions to the alternative energy issues by utilizing bulk-heterojunction cell techniques (Figure 1a) for low-cost and quick effective manufacturing. In this scope of research, a unique concept of donor-acceptor (D-A) system pairing as an acceptor within the bulk-heterojunction cell has been brought to light; a new concept of utilizing HOMO/LUMO pairings to create effective transport systems between a combination D-A acceptor and polymer donor is being optimized for maximum Photo-Conversion Efficiency (PCE). Due to a similar band gap relationship between the commonly reported PCBM and the novel dyad fullerene …

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Development Of Novel Organocatalytic Cascade Reactions And Application In Organic Systheses, Xixi Song Jul 2012

Development Of Novel Organocatalytic Cascade Reactions And Application In Organic Systheses, Xixi Song

Chemistry and Chemical Biology ETDs

The development of new catalytic reactions, particularly synthetically efficient cascade processes for the facile preparation of important molecular architectures, which otherwise are difficult to access via traditional methods, is of considerable significance. Toward this end, my Ph.D. work focuses on developing new organocatalytic reactions and their applications in organic syntheses. A novel direct organocatalytic stereoselective α-arylation methodology has been discovered. The cross-coupling-like products are assembled using simple enals and various brominated aromatic systems, such as p-bromophenols, bromonaphthols and 3-bromoindoles. The products have been applied in the concise photo-syntheses of [α]-annulated carbazoles. Moreover, an unexpected reaction has been identified with aliphatic …

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A Proposed Palladium-Catalyzed Cycle For The Epoxidation Of Alkenes, Marie Vernell Parkes Jul 2012

A Proposed Palladium-Catalyzed Cycle For The Epoxidation Of Alkenes, Marie Vernell Parkes

Chemistry and Chemical Biology ETDs

Epoxides are an important chemical functional group, used in a wide variety of processes, from the small-scale production of pharmaceuticals to the large-scale production of propylene oxide. Current methods for production of epoxides require costly multi-step syntheses that use toxic or explosive reagents, result in low yields, and produce co-products that must be removed and often disposed. The development of an atom-efficient general method, preferably catalytic, for converting alkenes to epoxides using safe, cheap, and readily available molecular oxygen as the stoichiometric oxidant would be a great advance in both industrial and academic chemistry. Presented here is a proposed catalytic …

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Preparation And Electrochemical Performance Of Tio2/Gns Nanocomposite As Anode Materials For Lithium-Ion Batteries, Lin-Lin Qin, Huan Zhang, Xiao-Jing Liu, Jian-Hui Xu, Yi-Ning Shi, Ming-Sen Zheng, Quan-Feng Dong Jun 2012

Preparation And Electrochemical Performance Of Tio2/Gns Nanocomposite As Anode Materials For Lithium-Ion Batteries, Lin-Lin Qin, Huan Zhang, Xiao-Jing Liu, Jian-Hui Xu, Yi-Ning Shi, Ming-Sen Zheng, Quan-Feng Dong

Journal of Electrochemistry

The honeycomb-like porous TiO2/graphenes (TiO2/GNs) nanocomposite was prepared by a reflux method. SEM and TEM results showed that nanosized anatase TiO2 (about 5~10 nm) were dispersed uniformly on the surface of the GNs. The TiO2/GNs composite showed excellent rate and cycling performance: A stable charge capacity of 169.5 mAh·g-1 was obtained at 30C, and can restore to 241.7 mAh·g-1 while current went back to 1C. The stable charge capacity of TiO2/GNs nanocomposite electrode up to 201.9 mAh·g-1 was achieved at 10C in the first cycle, and could be …

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An Overview Of Electrode Materials In Microbial Fuel Cells, Su-Qin Ci, Na Wu, Zhen-Hai Wen, Jing-Hong Li Jun 2012

An Overview Of Electrode Materials In Microbial Fuel Cells, Su-Qin Ci, Na Wu, Zhen-Hai Wen, Jing-Hong Li

Journal of Electrochemistry

Microbial fuel cells (MFCs) are devices that can directly convert organic chemical energy into electrical energy with microbial as catalysts. MFCs are a promising bio-electrochemical system with the potential to degrade organic sewage and produce electricity. This article supplies a critical and comprehensive review for the electrode materials concerning about anode and cathode in MFCs, including the fabrications, functional modifications and surface constructions of electrode materials, as well as their applications in MFCs. Additionally, the existing problems of electrode materials in current MFCs have been demonstrated in order to provide the guideline for exploring the next-generation electrode materials for MFCs.

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Protonization Of Amino Functional Groups Confined In Nanochannels, Hong-Li Gao, Kai-Lin Zhou, Chen Wang, Su-Juan Li, Hui Zhang, Xing-Hua Xia Jun 2012

Protonization Of Amino Functional Groups Confined In Nanochannels, Hong-Li Gao, Kai-Lin Zhou, Chen Wang, Su-Juan Li, Hui Zhang, Xing-Hua Xia

Journal of Electrochemistry

Protonization process is the key step of acid-base reaction and occurs in many biological processes. Study of the protonization process of molecules and/or functional groups in confined conditions would assist understanding in the acid-base theory and confinement effect of biomolecules. In this paper, we developed a novel approach to study protonization of functional groups in porous anodic alumina array nanochannels by measuring the flux of electrochemical active probes using an Au film electrochemical detector sputtered at the end of the nanochannels. The protonization status of the surface functional groups in nanochannels can change the surface charges and further modulate the …

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Preparation And Electrochemical Performance Of Tin@Mno Fibers By Coaxial Electrospinning, Chao-Qun Shang, Hai-Yan Yang, Xin-Hong Zhou, Zhong-Lei Man, Peng-Xian Han, Jian-Hua Yao, Yu-Long Duan, Guang-Lei Cui Jun 2012

Preparation And Electrochemical Performance Of Tin@Mno Fibers By Coaxial Electrospinning, Chao-Qun Shang, Hai-Yan Yang, Xin-Hong Zhou, Zhong-Lei Man, Peng-Xian Han, Jian-Hua Yao, Yu-Long Duan, Guang-Lei Cui

Journal of Electrochemistry

In this study, the titanium nitride (TiN) @manganese oxide (MnO) core-shell structured fibers were prepared by the coaxial electrospinning using tetrabutyl titanate and manganese acetylacetonate as raw materials, and polyvinylpyrrolidone (PVP) as the template. And then the fibers were annealed in ammonia to finally obtain the coaxial TiN@MnO fibers. XRD, FESEM, TEM, EDX and physical adsorption instrument were used to characterize the phase structure, morphology, composition and specific surface areas and pore sizes of the samples. It was demonstrated that the as-synthesized TiN@MnO fibers possessed coaxial structure with a surface area of 16 m2·g-1. As indicated …

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Novel Molten-Salt Electrolysis Processes Towards Low-Carbon Metallurgy, Wei Xiao, Hua Zhu, Hua-Yi Yin, De-Hua Wang Jun 2012

Novel Molten-Salt Electrolysis Processes Towards Low-Carbon Metallurgy, Wei Xiao, Hua Zhu, Hua-Yi Yin, De-Hua Wang

Journal of Electrochemistry

This review focuses on recent developments in molten-salt electrolytic metallurgical processes with respect to 1) high-efficiency metallurgical technologies via electrolytic reduction of solid oxides in molten chlorides and 2) zero-carbon-footprint electrochemical splitting metallurgical technologies. Initiating with an introduction on dynamic solid/solid/liquid three-phrase interlines electrochemistry for electrochemical reduction of solid cathode, the former aspect is discussed in terms of facilitating mass transfer throughout solid cathode, one-step production of functional alloy powders with the assistance of under-potential electroreduction of active metals and near-net-shape production of metal/alloy components. Whilst the latter is summarized by introducing some zero-carbon molten-salt electrolytic technologies including electro-splitting of …

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Comments On Internal Alternating Current Resistance Test Standard And Methods Of Lithium-Ion Batteries, Ya-Li Zhang, Sen Xin, Yu-Guo Guo, Li-Jun Wan Jun 2012

Comments On Internal Alternating Current Resistance Test Standard And Methods Of Lithium-Ion Batteries, Ya-Li Zhang, Sen Xin, Yu-Guo Guo, Li-Jun Wan

Journal of Electrochemistry

The sustainable development of energy and environment is one of the most influential issues of this century. Batteries, especially secondary batteries are important for powering out daily life. However, in many practical applications, such as in electric vehicles and hybrid electric vehicles, batteries should be used in packs and the performance consistency of each battery in the pack should be taken into consideration. As one of the performance parameters being used to characterize the battery consistency, internal resistance is of great importance to the industrial fabrication and the use of batteries. Currently, internal resistance tests of secondary batteries, such as …

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Methodological Significance Of "Property-Activity Relationship" For Catalyst Studies, Jun-Tao Lu, Li Xiao, De-Li Wang, Yu-Bao Sun, Yan-Ge Suo, Lin Zhuang Jun 2012

Methodological Significance Of "Property-Activity Relationship" For Catalyst Studies, Jun-Tao Lu, Li Xiao, De-Li Wang, Yu-Bao Sun, Yan-Ge Suo, Lin Zhuang

Journal of Electrochemistry

Instead of attempting the structure-activity relationship (SAR), which is commonly regarded as the core problem for catalyst studies, this paper highlights the methodological significance of “property-activity relationship (PAR)”. The “property” here refers to an index （such as the adsorption energy of an intermediate） or a group of indexes reflecting the behavior of a catalyst which interacts with reactants or intermediates, and is a bridge between structure and activity. Because property is related to activity more directly than structure to activity, PAR should be simpler, less difficult and, therefore, more feasible to be accessed than SAR. Once the key property is …

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Simple Analysis And Possible Solutions Of The Unusual Interfacial Reactions In Li-S Batteries, Xin-Ping Ai, Yu-Liang Cao, Han-Xi Yang Jun 2012

Simple Analysis And Possible Solutions Of The Unusual Interfacial Reactions In Li-S Batteries, Xin-Ping Ai, Yu-Liang Cao, Han-Xi Yang

Journal of Electrochemistry

Rechargeable Li-S batteries are a promising power source with realizable energy densities several times higher than current Li-ion batteries. However, the capacity utilization and cycling stability of the existing Li-S technologies are still insufficient for battery applications. The causes for the electrochemical instability of this redox system arise probably from the changes in the surface structures and electrochemical microenvironments of the Li anode and sulfur cathode during charge-discharge reactions, which includes the frustrated electron transfer in the sulfur-carbon interface, the dissoluble diffusion of the polysulfide intermediates, and the shuttle reaction inbetween the sulfur and Li electrodes. To deal with these …

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Application Of First Principles Calculations In Anode Materials For Lithium Ion Batteries, Tian-Ran Zhang, Dai-Xin Li, Si-Qi Yang, Zhan-Liang Tao, Jun Chen Jun 2012

Application Of First Principles Calculations In Anode Materials For Lithium Ion Batteries, Tian-Ran Zhang, Dai-Xin Li, Si-Qi Yang, Zhan-Liang Tao, Jun Chen

Journal of Electrochemistry

First principles calculations play an important role in the study and development of new materials for lithium batteries. In this paper, we review the application of first principles calculations in the design of anode materials, including the modeling of the interaction of lithium in the anode materials, capacity, voltage, electrochemical reaction process, diffusion, rate capability, the relationship between the structure and properties, and the experimental phenomena interpreting. Based on the discussions, we emphasize on the importance of first principles calculations and demonstrate their requirement for further development.

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Preparation And Characterization Of Prussian Blue Modified Nanoelectrode, Wei Wang, Bao-Fa Su, Dong-Ping Zhan Jun 2012

Preparation And Characterization Of Prussian Blue Modified Nanoelectrode, Wei Wang, Bao-Fa Su, Dong-Ping Zhan

Journal of Electrochemistry

The Pt nanoelectrodes were fabricated by using a laser-based pipet puller and the recessed nanoelectrodes were prepared by etching of disk Pt nanoelectrodes wtih high frequency ac voltage. Prussian blue microcrystal was synthesized electrochemically on the both disk and recessed Pt nanoelectrodes. The strength of mechanical adhesion for the Prussian blue microcrystal on the nanoelectrode was enhanced. A novel method for the controllable synthesis of single particle is proposed, which has potential applications in modified electrodes and single particle electrocatalysis.

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On The Molecular Mechanism Of Electron Transfer Of Cytochrome C Modulated By Gold Nanoparticles In Nano-Sandwich Architecture, Shou-Rui Lin, Li-Xu Wang, Xiu-E Jiang, Li-Ping Guo Jun 2012

On The Molecular Mechanism Of Electron Transfer Of Cytochrome C Modulated By Gold Nanoparticles In Nano-Sandwich Architecture, Shou-Rui Lin, Li-Xu Wang, Xiu-E Jiang, Li-Ping Guo

Journal of Electrochemistry

The effects of adsorbed gold nanoparticles on the surface-enhanced infrared absorption (SEIRA) difference spectra of redox-induced cytochrome (Cyt) c in AuNPs/Cyt c/Au sandwich architecture were monitored by SEIRA spectroscopy. The results indicated that the intensity of SEIRA difference spectrum for the vibration of the heme was significantly increased due to the adsorption of gold nanoparticles on the Cyt c. This was induced by the electron transfer between the heme and the gold nanoparticles, which also promoted electron transfer of adsorbed protein. This study suggested a new technique for optimizing the electrochemical property of adsorbed protein.

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The Electrocatalytic Performance Of Pd Catalysts Supported On Pvp Modified Mwcnts For Formic Acid Oxidation, Jing Zhang, Xiao Zhao, Chang-Peng Liu, Wei Xing Jun 2012

The Electrocatalytic Performance Of Pd Catalysts Supported On Pvp Modified Mwcnts For Formic Acid Oxidation, Jing Zhang, Xiao Zhao, Chang-Peng Liu, Wei Xing

Journal of Electrochemistry

In this paper the MWCNTs were modified by Poly (N-vinyl-2-pyrrolidone) (PVP) to support Pd nanoparticles, which were used as the catalyst for formic acid electrooxidation. And the performance of Pd/PVP-MWCNTs catalysts was studied by electrochemical measurements. The observations from Fourier transforms infrared spectrometer (FTIR) and transmission electron microscopy (TEM) illustrated that the Pd nanoparticles with a small size and narrow size distribution were highly dispersed on PVP-MWCNT support. Therefore, the Pd/PVP-MWCNTs catalysts showed excellent catalytic activity for formic acid electrooxidation.

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Synthesis Of Spherical Ni3S4 By Solvothermal Method As Supercapacitor Electrodes, Qing-Na Huan, Li-Fang Jiao, Qing-Hong Wang, Hong-Mei Du, Jia-Qin Yang, Wen-Xiu Peng, Yi-Jing Wang, Hua-Tang Yuan Jun 2012

Synthesis Of Spherical Ni3S4 By Solvothermal Method As Supercapacitor Electrodes, Qing-Na Huan, Li-Fang Jiao, Qing-Hong Wang, Hong-Mei Du, Jia-Qin Yang, Wen-Xiu Peng, Yi-Jing Wang, Hua-Tang Yuan

Journal of Electrochemistry

The Ni3S4 microspheres have been synthesized via a facile solvothermal method. The crystal structure and surface morphology are characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM). Microspherical Ni3S4 exhibits good electrochemical capacitance validated by electrochemical measurements. The specific capacities of 1120.6 F∙g-1 at 0.5 A∙g-1 and 433.4 F∙g-1 at 4 A∙g-1 with the capacitance retention of 89.37 % and 84.88 % were obtained after 1000 cycles, respectively. The electrochemical reaction is expected due to the transformation of Ni(OH)2 and NiOOH based on the XRD, XPS and CV …

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Performnces Of Lini0.5Mn0.5O2 Thin Film Electrodes Prepared By Pulsed Laser Deposition, Yun-Hai Wan, Guo-Liang Yuan, Hui Xia Jun 2012

Performnces Of Lini0.5Mn0.5O2 Thin Film Electrodes Prepared By Pulsed Laser Deposition, Yun-Hai Wan, Guo-Liang Yuan, Hui Xia

Journal of Electrochemistry

The all-solid-state thin-film Li-ion batteries with high energy density, power density and temperature stability are the ideal power sources for microelectronic devices. Developing new thin-film cathodes with large specific capacity is the key to their practical applications. The LiNi0.5Mn0.5O2 with a layered structure has a higher reversible capacity and better structural stability compared with traditional LiCoO2 cathode material. In this work, the LiNi0.5Mn0.5O2 thin film cathodes were prepared by pulsed laser deposition. The effects of substrate material and temperature on the microstructure, surface morphology and composition of the thin …

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Detection Of Pml/Rarî± Fusion Gene Using Gold Nanopaticles Modified Electrode By Chronocoulometry, Li-Man Wang, Li-Qing Lin, Shao-Huang Weng, Xin-Hua Lin, Yuan-Zhong Chen Jun 2012

Detection Of Pml/Rarî± Fusion Gene Using Gold Nanopaticles Modified Electrode By Chronocoulometry, Li-Man Wang, Li-Qing Lin, Shao-Huang Weng, Xin-Hua Lin, Yuan-Zhong Chen

Journal of Electrochemistry

A gold nanoparticles modified electrode was prepared by electrodeposition at constant potential. The sulfydryl modified probe was immobilized onto surface of gold nanoparticles via Au-S covalent bond and hybridized with complementary target DNA sequences, then the DNA sensor was fabricated for the detection of PML/RARα fusion gene by chronocoulometry in acute promyelocytic leukemia (APL). Scanning electron microscopy (SEM) and electrochemical impedance spectroscopy (EIS) were used to characterize the surface morphology of gold nanoparticles and the constructing process of sensor. With hexaammineruthenium(Ⅲ) chloride (RuHex) as a novel electrochemical indicator, the chronocoulometric DNA biosensor was employed to monitor artificial APL PML/RARα fusion …

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Concentration Effects And Ion Properties Controlling The Fractionation Of Halides During Aerosol Formation, Marcelo I. Guzman, Richa R. Athalye, Jose M. Rodriguez Jun 2012

Concentration Effects And Ion Properties Controlling The Fractionation Of Halides During Aerosol Formation, Marcelo I. Guzman, Richa R. Athalye, Jose M. Rodriguez

Chemistry Faculty Publications

During the aerosolization process at the sea surface, halides are incorporated into aerosol droplets, where they may play an important role in tropospheric ozone chemistry. Although this process may significantly contribute to the formation of reactive gas phase molecular halogens, little is known about the environmental factors that control how halides selectively accumulate at the air-water interface. In this study, the production of sea spray aerosol is simulated using electrospray ionization (ESI) of 100 nM equimolar solutions of NaCl, NaBr, NaI, NaNO(2), NaNO(3), NaClO(4), and NaIO(4). The microdroplets generated are analyzed by mass spectrometry to study the comparative enrichment of …

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Maxwell's Equations, Part Vii, David W. Ball Jun 2012

Maxwell's Equations, Part Vii, David W. Ball

Chemistry Faculty Publications

This is the seventh (and perhaps last) installment of a series of columns on Maxwell’s equations of electrodynamics. In previous columns (available at Spectroscopy’s website, www.spectroscopyonline.com/The+Baseline+Column), we have covered history, the background of the first three equations, and the mathematics underlying them. Here we will present the fourth equation, and after reaching it we’ll see how light is described in terms of these four mathematical expressions.

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Patent: Methods Of Treating Fgf21-Associated Disorders, Brian R. Boettcher, Shari L. Caplan, Douglas S. Daniels, Bernhard Hubert Geierstanger, Norio Hamamatsu, Stuart Licht, Andreas Loew, Stephen Craig Weldon May 2012

Patent: Methods Of Treating Fgf21-Associated Disorders, Brian R. Boettcher, Shari L. Caplan, Douglas S. Daniels, Bernhard Hubert Geierstanger, Norio Hamamatsu, Stuart Licht, Andreas Loew, Stephen Craig Weldon

Chemistry Faculty Publications

The invention relates to the identification of new polypeptide and protein variants of fibroblast growth factor 21 (FGF21) that have improved pharmaceutical properties. Also disclosed are methods for treating FGF21-associated disorders, includ ing metabolic conditions.

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Magnetic Ordering And Structural Phase Transition In Strained Ultrathin Srruo3/Srtio3 Superlattice, Mingquiang Gu, Xiaoshan Wu, Guoping Zhang May 2012

Magnetic Ordering And Structural Phase Transition In Strained Ultrathin Srruo3/Srtio3 Superlattice, Mingquiang Gu, Xiaoshan Wu, Guoping Zhang

Symposium 2012

No abstract provided.

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Cloning And Characterization Of Sas0754, A Hypothetical Protein From Community Associated Staphylococcus Aureus, Unknown Unknown May 2012

Cloning And Characterization Of Sas0754, A Hypothetical Protein From Community Associated Staphylococcus Aureus, Unknown Unknown

Symposium 2012

Community associated Staphylococcus aureus (strain MSSA476) is a gram positive cocci capable of infecting many different parts of the body and known to cause serious infections that can be fatal, such as bacterial arthritis and acute endocarditis. To find effective ways of fighting against CA-MRSA strains we must learn more about their ability to infect. The focus of this study was cloning and characterization of a protein referred to as SAS0754. The size of SAS0754 is 340 amino acids and the gene sequence is 1023 nucleotides. The hypothetical function of this protein is that it is an extracellular matrix binding …

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A Convenient Synthesis Of 2,6-Dichlorohomonicotinic Acid, Chase Buchanan, Richard W. Fitch May 2012

A Convenient Synthesis Of 2,6-Dichlorohomonicotinic Acid, Chase Buchanan, Richard W. Fitch

Symposium 2012

In our synthetic efforts toward the alkaloid phantasmidine, we required a convenient source of the title compound. Herein, we describe a short synthesis of 2,6-dichlorohomonicotinic acid by direct allylation of 2,6-dichloropyridine with LDA/allyl chloride, followed by permanganate oxidation of the side chain [figure1]. Yields for the allylation are high, while permanganate oxidation required more adjustment. Successful conditions require the modest acidification of the mixture with acetic acid and cleanup by acid base workup. No chromatography is needed.

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Convenient Parallel Synthesis Of Alkyl- And Aryl-S-Tert-Butyl Thiothers, Rebecca Norcross, Jessica Stanfield, Richard W. Fitch May 2012

Convenient Parallel Synthesis Of Alkyl- And Aryl-S-Tert-Butyl Thiothers, Rebecca Norcross, Jessica Stanfield, Richard W. Fitch

Symposium 2012

While preparing novel cysteine derivatives as oxidation catalysts, we needed S-tert-butylcysteine. We also examined acid-promoted tert-butylation of thiols using tert-butanol as reagent and solvent. While cysteine and aminoethanethiol work well using tBuOH in 4M HCl, other thiols fail in the aqueous environment and aerobic conditions. We examined a variety of aliphatic and aromatic thiols in tBuOH with H2SO4 catalysis and found that argon sparging and the use of 1 eq of acid led to good yields in a parallel format.

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Introducing Nob-Nobs: Nitrogen-Oxygen-Boron Cycles With Potential High-Energy Properties, Aloysus K. Lawong, David W. Ball May 2012

Introducing Nob-Nobs: Nitrogen-Oxygen-Boron Cycles With Potential High-Energy Properties, Aloysus K. Lawong, David W. Ball

Chemistry Faculty Publications

As a follow-up on a study of a family of boron-oxygen-nitrogen compounds composed of two datively bonded B–O–N backbones, we investigate a similar series of compounds that have similar fragments but are covalently bonded. B3LYP/6-31G(d,p) quantum mechanical calculations have been performed to determine the minimum-energy geometries, vibrational frequencies, and thermochemical properties of the parent compound and a series of nitro-substituted derivatives. Our results indicate that some of the derivatives have at least appropriate thermodynamics for possible high-energy materials, in some cases being favorable over similar dimeric compounds with coordinate covalent B–N bonds

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Synthesis, Modification, And Characterization Of Spherical Sba-15 Ordered Mesoporous Silica And Evaluation In High Performance Liquid Chromatography, Alexander P. Giaquinto May 2012

Synthesis, Modification, And Characterization Of Spherical Sba-15 Ordered Mesoporous Silica And Evaluation In High Performance Liquid Chromatography, Alexander P. Giaquinto

Seton Hall University Dissertations and Theses (ETDs)

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