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Analytical Chemistry

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Articles 451 - 480 of 651

Full-Text Articles in Physical Chemistry

Preliminary Investigation Of Iron Protoporphyrin Sams On Platinum Electrodes By Surface Enhanced Vibrational Spectroscopies, Min Ma, Yao-Yue Yang, Han-Xuan Zhang, Wen-Bin Cai Aug 2010

Preliminary Investigation Of Iron Protoporphyrin Sams On Platinum Electrodes By Surface Enhanced Vibrational Spectroscopies, Min Ma, Yao-Yue Yang, Han-Xuan Zhang, Wen-Bin Cai

Journal of Electrochemistry

In situ SERS and ATR-SEIRAS were applied to investigate the electrochemical and structural properties of iron protoporphyrin IX (FePP) self-assembled monolayers (SAMs) on Pt electrodes in 0. 1 mol· L -1 HClO4. The potential dependent SERS spectra of the FePP SAM on a roughened Pt electrode with the enhancement factor of ca. 40 were acquired with the excitation line of 514 nm. Analyses of SERS data over the potential region from 0. 5 to -0. 3 V enabled to obtain potential dependent adsorption isotherms,from which the formal redox potential could be estimated to be ca. -0. 2 V. …

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Studies Of Oxidation Processes Of Adsorbed And Solution Co On Pt(110) Electrode By Cyclic Voltammetry And In Situ Ftirs, Li Tian, Jun-Tao Li, Jin-Yu Ye, Chun-Hua Zhen, Shi-Gang Sun Aug 2010

Studies Of Oxidation Processes Of Adsorbed And Solution Co On Pt(110) Electrode By Cyclic Voltammetry And In Situ Ftirs, Li Tian, Jun-Tao Li, Jin-Yu Ye, Chun-Hua Zhen, Shi-Gang Sun

Journal of Electrochemistry

The oxidation processes of adsorbed CO (COad) and solution phase CO (COsol) on Pt(110) electrode were investigated by cyclic voltammetry and in-situ FTIR spectroscopy. It has revealed that in comparison with COad on Pt(110) in a CO-free solution,the oxidation current peak of COsol in a CO-saturated solution is positively shifted ca. 168 mV,and the peak current density has been increased by 6. 70 times. Linear adsorbed CO (COL) is determined by in-situ FTIR spectroscopy as the main species,which is uniformly distributed on Pt (110) surface. In a CO-free solution,the onset potential of COL is measured by in-situ FTIRS ca. 0. …

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Density Functional Theory Studies Of Surface-Enhanced Raman Spectroscopy In Electrochemical Interfaces, Liu-Bin Zhao, De-Yin Wu, Bin Ren, Zhong-Qun Tian Aug 2010

Density Functional Theory Studies Of Surface-Enhanced Raman Spectroscopy In Electrochemical Interfaces, Liu-Bin Zhao, De-Yin Wu, Bin Ren, Zhong-Qun Tian

Journal of Electrochemistry

Quantum chemical density functional theory and Raman scattering theory were used to study the bonding mechanism and surface-enhanced Raman spectroscopy of pyridine adsorbed on transition metals (Ⅷ group) and coinage metals (IB group) . SERS studies of pyridine-metal systems have been reviewed. Chemical bonding mechanism as well as photo-driven charge transfer mechanism was considered to investigate the vibrational frequency shift and the enhancement of SERS intensity in electrochemical interfaces. Our theoretical results can be used to interpret the SERS phenomena dependent on metals,excitation wavelengths,and applied potentials.

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Full Multiple Scattering Analysis Of Xanes At The Cd L 3- And O K- Edges In Cdo Films Combined With A Soft-X-Ray Emission Investigation, I. N. Demchenko, J. D. Denlinger, M. Chernyshova, K. M. Yu, D. T. Speaks, P. Olalde-Velasco, Oliver Hemmers, W. Walukiewicz, A. Derkachova, K. Lawniczak-Jablonska Aug 2010

Full Multiple Scattering Analysis Of Xanes At The Cd L 3- And O K- Edges In Cdo Films Combined With A Soft-X-Ray Emission Investigation, I. N. Demchenko, J. D. Denlinger, M. Chernyshova, K. M. Yu, D. T. Speaks, P. Olalde-Velasco, Oliver Hemmers, W. Walukiewicz, A. Derkachova, K. Lawniczak-Jablonska

Environmental Studies Faculty Publications

X-ray absorption near edge structure (XANES) at the cadmium L3 and oxygen K edges for CdO thin films grown by pulsed laser deposition method, is interpreted within the real-space multiple scattering formalism, FEFF code. The features in the experimental spectra are well reproduced by calculations for a cluster of about six and ten coordination shells around the absorber for L3 edge of Cd and K edge of O, respectively. The calculated projected electronic density of states is found to be in good agreement with unoccupied electronic states in experimental data and allows to conclude that the orbital character of the …

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Blocking Method In Enzyme-Amplified Amperometric Dna Biosensor, Miao He, Wei Chen, Xiong-Wei Xu, Ai-Lin Liu, Xin-Hua Lin May 2010

Blocking Method In Enzyme-Amplified Amperometric Dna Biosensor, Miao He, Wei Chen, Xiong-Wei Xu, Ai-Lin Liu, Xin-Hua Lin

Journal of Electrochemistry

Non-specific absorption of enzyme and nucleotide is a main source leading to the background staining in enzyme-amplified amperometric detection of DNA. To eliminate the background staining in this system, the blocking procedure by mercapto-hexanol (MCH) and bovine serum albumin (BSA) was studied systematically. The results show that the anti-fouling effect of BSA is better than that of MCH. A simple and efficient blocking strategy employing BSA as the sole blocking reagent was established and applied in the detection of PMLRARα fusion gene in acute promyelocytic leukemia. It can effectively eliminate the background staining,shorten the pre-processing time,and achieve strong signal amplification.

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Measurement And Wavelet Analysis Of The Electrochemical Noise Of Rebar Steel In Simulated Concrete Pore Solution, Rong-Gang Hu, Chen-Qing Ye, Shi-Gang Dong, Chang-Jian Lin May 2010

Measurement And Wavelet Analysis Of The Electrochemical Noise Of Rebar Steel In Simulated Concrete Pore Solution, Rong-Gang Hu, Chen-Qing Ye, Shi-Gang Dong, Chang-Jian Lin

Journal of Electrochemistry

Electrochemical noise (ECN) measurement can provide information about both corrosion rate and corrosion type while inflicting no perturbation on the studied system. The ECN data of steel rebar in SPS with different amount of Cl-were collected and treated by discrete wavelet transformation to evaluate the contribution from transients in different frequency in the overall signals. Energy distribution plot (EDP) indicated in SPS with 0.0001 mol/L NaCl, the transients with time constant between 16 ～ 32 s were found to be predominant over other processes; while in SPS with higher Cl-concentration, the trend toward active corrosion became the main process. It …

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Fabrication Of Electrochemically Activated Glassy Carbon/Bismuth Film Electrodes For Sensitive Analysis Of Pb(2+) And Cd(2+), Kang Shi, Wen-Jing Wang, Kun Hu May 2010

Fabrication Of Electrochemically Activated Glassy Carbon/Bismuth Film Electrodes For Sensitive Analysis Of Pb(2+) And Cd(2+), Kang Shi, Wen-Jing Wang, Kun Hu

Journal of Electrochemistry

The application of electrochemically activated glassy carbon (GC) in the in-situ preparing of bismuth film electrodes (BiFEs) to analyze Pb2 + and Cd2 + was investigated. The glassy carbon electrodes were electrochemically activated by either potentiostic or cyclic polarization in 1 mol·L-1 NaOH solution. Experimental results show that employment of HCl solution as the analytical solution not only can reproducibly renew the electrochemically activated GC electrode surface with an electrochemical clear procedure, but also can greatly enhance the sensitivity of BiFes method for analysis of Pb2 + and Cd2 +. The test range thus …

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Two-Dimensional To Three-Dimensional Structural Transition Of Gold Cluster Au 10 During Soft Landing On Tio 2 Surface And Its Effect On Co Oxidation, Hui Li, Yong Pei, Xiao Cheng Zeng Jan 2010

Two-Dimensional To Three-Dimensional Structural Transition Of Gold Cluster Au 10 During Soft Landing On Tio 2 Surface And Its Effect On Co Oxidation, Hui Li, Yong Pei, Xiao Cheng Zeng

Xiao Cheng Zeng Publications

We investigate the possible structural transition of a planar Au10 cluster during its soft landing on a TiO2 (110) surface with or with no oxygen defects. The collision between the gold cluster and the oxide surface is simulated using the Car–Parrinello quantum molecular dynamics method. Both high-speed and low-speed conditions typically implemented in soft-landing experiments are simulated. It is found that under a high-speed condition, the gold cluster Au10 can undergo a sequence of structural transitions after colliding with a defect-free TiO2 (110) surface. When the TiO2 (110) surface possesses oxygen vacancies, however, chemical bonds …

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Icosahedral B12-Containing Core–Shell Structures Of B80, Hui Li, Nan Shao, Bo Shang, Lan-Feng Yuan, Jinlong Yang, Xiao Cheng Zeng Jan 2010

Icosahedral B12-Containing Core–Shell Structures Of B80, Hui Li, Nan Shao, Bo Shang, Lan-Feng Yuan, Jinlong Yang, Xiao Cheng Zeng

Xiao Cheng Zeng Publications

Low-lying icosahedral (Ih) B12-containing structures of B80 are explored, and a number of core–shell isomers are found to have lower energy than the previous predicted B80 fullerene. The structural transformation of boron clusters from tubular structure to core–shell structure may occur at a critical size less than B80.

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Graphene-Like Bilayer Hexagonal Silicon Polymorph, Jaeil Bai, Hideki Tanaka, Xiao Cheng Zeng Jan 2010

Graphene-Like Bilayer Hexagonal Silicon Polymorph, Jaeil Bai, Hideki Tanaka, Xiao Cheng Zeng

Xiao Cheng Zeng Publications

We present molecular dynamics simulation evidence for a freezing transition from liquid silicon to quasi-twodimensional (quasi-2D) bilayer silicon in a slit nanopore. This new quasi-2D polymorph of silicon exhibits a bilayer hexagonal structure in which the covalent coordination number of every silicon atom is four. Quantum molecular dynamics simulations show that the stand-alone bilayer silicon (without the confinement) is still stable at 400 K. Electronic band-structure calculations suggest that the bilayer hexagonal silicon is a quasi-2D semimetal, similar to a graphene monolayer, but with an indirect zero band gap.

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Elucidating The Structure Of Protein Aggregates By Raman Spectroscopy, Ludmila A. Popova Jan 2010

Elucidating The Structure Of Protein Aggregates By Raman Spectroscopy, Ludmila A. Popova

Legacy Theses & Dissertations (2009 - 2024)

The structures and properties of amyloid fibrils are of considerable interest due to their associations with numerous neurodegenerative diseases such as Alzheimer's disease, Parkinson's disease and transmissible spongiform encephalopaties (prion diseases). Understanding fibrillogenesis at a molecular level requires detailed structural characterization of amyloid fibrils. However amyloid fibrils are difficult objects to study due to their non-crystalline and insoluble nature. These properties make the application of classical tools of structural biology, such as X-Ray crystallography and solution Nuclear Magnetic Resonance spectroscopy, impractical for structural characterization of protein fibrils.

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Sulfur K-Edge Photo-Fragmentation Of Ethylene Sulfide, Wayne C. Stolte, Gunnar Ohrwall Jan 2010

Sulfur K-Edge Photo-Fragmentation Of Ethylene Sulfide, Wayne C. Stolte, Gunnar Ohrwall

Chemistry and Biochemistry Faculty Research

We have investigated the photofragmentation properties of the three-membered ring heterocyclic molecule ethylene sulfide or thiirane, C2H4S, by time-of-flight mass spectroscopy. Positive ions have been collected as a function of photon energy around the S K ionization threshold. Branching ratios were derived for all detected ions, which are informative of the decay dynamics and photofragmentation patterns of the core-excited species. We present a new assignment of the spectral features around the S K-edge.

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Cyclic Voltammetric And In-Situ Ftir Spectroscopic Studies Of Adsorption And Reduction Of No On Electrode Of Pt Nanoparticles, Qian Cheng, Yan-Xia Jiang, Dong-Mei Zeng, Shi-Gang Sun Nov 2009

Cyclic Voltammetric And In-Situ Ftir Spectroscopic Studies Of Adsorption And Reduction Of No On Electrode Of Pt Nanoparticles, Qian Cheng, Yan-Xia Jiang, Dong-Mei Zeng, Shi-Gang Sun

Journal of Electrochemistry

Adsorption and reduction of NO on electrode of Pt nanoparticles in acid solutions were studied by means of cyclic voltammetry(CV) and in-situ FTIR spectroscopy.The results indicated that the reduction of NO is a complicated process including the adsorption of NO on electrode surface.Two types of surface-bonded NO were determined on Pt nanoparticles.The weakly adsorbed NO was reduced between 0.6 V and-0.05 V,which yielded nitrous oxide(N2O) and ammonium(NH4+) as products;while the strongly bonded NO was reduced at more negative potentials between-0.05V and-0.15V,producing only NH4+ species.

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Fragmentation Properties Of Three-Membered Ring Heterocyclic Molecules By Partial Ion Yield Spectroscopy: C2h4o And C2h4s, Wayne C. Stolte, I. Dumitriu, S-W Yu, Gunnar Ohrwall, Maria Novella Piancastelli, Dennis W. Lindle Nov 2009

Fragmentation Properties Of Three-Membered Ring Heterocyclic Molecules By Partial Ion Yield Spectroscopy: C2h4o And C2h4s, Wayne C. Stolte, I. Dumitriu, S-W Yu, Gunnar Ohrwall, Maria Novella Piancastelli, Dennis W. Lindle

Chemistry and Biochemistry Faculty Research

We investigated the photofragmentation properties of two three-membered ring heterocyclic molecules, C2H4O and C2H4S, by total and partial ion yield spectroscopy. Positive and negative ions have been collected as a function of photon energy around the C 1s and O 1s ionization thresholds in C2H4O, and around the S 2p and C 1s thresholds in C2H4S. We underline similarities and differences between these two analogous systems. We present a new assignment of the spectral features around the C K-edge and the sulfur L2 …

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Development Of Chemometric Models And Calibration Transfer For Rapid Diesel And Jet Fuel Analysis Using Near Infrared Spectroscopy, Christopher Matthew Larkin Oct 2009

Development Of Chemometric Models And Calibration Transfer For Rapid Diesel And Jet Fuel Analysis Using Near Infrared Spectroscopy, Christopher Matthew Larkin

Chemistry & Biochemistry Theses & Dissertations

Fuel quality assurance and analysis, as it pertains to the United States armed forces, is crucial for maintaining operability and upholding safety regulations with respect to fuel class. Currently a great amount of effort, money and manpower are dedicated to this task as fuel analysis takes place in off-site laboratories where quality assessment and property determination is performed manually by highly qualified lab technicians. This presents the military with a logistics problem with respect to refueling, transport, and fuel storage as the typical tum-around time is 1-2 weeks. In this thesis it has been demonstrated that near-infrared spectroscopy, in conjunction …

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Experimental And Theoretical Investigation Of Molecular Field Effects By Polarization-Resolved Resonant Inelastic X-Ray Scattering, Stephane Carniato, Renaud Guillemin, Wayne C. Stolte, Loic Journel, Richard Taieb, Dennis W. Lindle, Marc Simon Sep 2009

Experimental And Theoretical Investigation Of Molecular Field Effects By Polarization-Resolved Resonant Inelastic X-Ray Scattering, Stephane Carniato, Renaud Guillemin, Wayne C. Stolte, Loic Journel, Richard Taieb, Dennis W. Lindle, Marc Simon

Chemistry and Biochemistry Faculty Research

We present a combined theoretical and experimental study of molecular field effects on molecular core levels. Polarization-dependent resonant inelastic x-ray scattering is observed experimentally after resonant K-shell excitation of CF3Cl and HCl. We explain the linear dichroism observed in spin-orbit level intensities as due to molecular field effects, including singlet-triplet exchange, and interpret this behavior in terms of population differences in the 2px,y,z inner-shell orbitals. We investigate theoretically the different factors that can affect the electronic populations and the dynamical R dependence of the spin-orbit ratio. Finally, the results obtained are used to interpret the L-shell …

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Electrochemically Induced Free Radical Polymerization Of Methacrylic Acid And Fabrication Of Amperometric Glucose Biosensor, Sheng Wang, Ying Lei, Kang Shi Aug 2009

Electrochemically Induced Free Radical Polymerization Of Methacrylic Acid And Fabrication Of Amperometric Glucose Biosensor, Sheng Wang, Ying Lei, Kang Shi

Journal of Electrochemistry

Electrochemically induced free radical polymerization of methacrylic acid was preliminarily investigated. Based on the electrochemical reduction of persulfate anion in phosphate buffer (pH 7.0) solution,the free radical polymerization of methacrylic acid was initiated to generate an ultrathin and biocompatible hydrogel layer on the gold electrode. At the meantime,glucose oxidase could be immobilized within the hydrogel film in the polymerization process. The resulting biosensor displayed an attractive performance.

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Electrochemical Properties Of Functionalized Carbon Nanotubes And Their Applications In Analysis Of 6-Mercaptopurine, Bao-Yi Lu, Yan-Yan Lai, Hong Li Feb 2009

Electrochemical Properties Of Functionalized Carbon Nanotubes And Their Applications In Analysis Of 6-Mercaptopurine, Bao-Yi Lu, Yan-Yan Lai, Hong Li

Journal of Electrochemistry

The electrochemical behaviors and adsorption properties of single-walled carbon nanotubes such as SWNT,SWNT-COOH,and SWNT-OH and multi-walled carbon nanotubes including MWNT,MWNT-COOH,and MWNT-OH modified at a graphite electrode have been investigated by using [Fe(CN)6]3-anion and [Co(phen)3]3+ cation.It was shown that shows good redox reversibility of [Fe(CN)6]3-/4-reactions on the existed carbon nanotubes(CNT) modified electrode.Based on the strong adsorptive property of [Co(phen)3]3+ on the CNT surface,the [Co(phen)3]3+/CNT modified graphite electrode can be obtained by progressive potential sweeping and developed to monitor quantitatively 6-mercaptopurine(6-MP).The adsorption capacity of …

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A Conducance Detection System Applying Constant Current Source For Ion Chromatography, Hua-Bin Chen, Wei-Xiong Huang, Rong-Zong Hu Feb 2009

A Conducance Detection System Applying Constant Current Source For Ion Chromatography, Hua-Bin Chen, Wei-Xiong Huang, Rong-Zong Hu

Journal of Electrochemistry

Being different from bipolar pulse technique,a new type conductivity detection circuit system applying constant current source for ion chromatography was designed which effectively reduces the complexity of bipolar pulse technique,accurately and intelligently completes the signal amplification,collection,processing and spectrum displaying.In this article the detection principle and the hardware of the system were described and the experimental results with accurate and reliable measurements were shown.

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Preparation And Characterization Of Some Substituted Benzyl N-Nitrosocarbamates Containing An N-2-(Methylthio)Ethyl Or A Bis(2-Aminoethyl)Sulfide Functionality, Satya Venkata, Eric Shamo, Vladimir Benin Jan 2009

Preparation And Characterization Of Some Substituted Benzyl N-Nitrosocarbamates Containing An N-2-(Methylthio)Ethyl Or A Bis(2-Aminoethyl)Sulfide Functionality, Satya Venkata, Eric Shamo, Vladimir Benin

Chemistry Faculty Publications

The synthesis and characterization of some substituted benzyl N-nitrosocarbamates with an N-2-(methylthio)ethyl or a bis(2-aminoethyl)sulfide functionality is reported, as a part of a long-term goal to design and prepare novel photolabile structures that could be used as substances for controlled release of alkylating and/or crosslinking agents. The synthesis was accomplished by reaction of benzyl chloroformates with the corresponding amines, resulting in the preparation of carbamates. The latter were subsequently nitrosated, utilizing two different N-nitrosation methods, to yield the target structures.

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Partial Ion Yield Sspectroscopy Around The Cl 2p And C 1s Ionization Thresholds In Cf3cl, D. Ceolin, Maria Novella Piancastelli, Wayne C. Stolte, Dennis W. Lindle Jan 2009

Partial Ion Yield Sspectroscopy Around The Cl 2p And C 1s Ionization Thresholds In Cf3cl, D. Ceolin, Maria Novella Piancastelli, Wayne C. Stolte, Dennis W. Lindle

Chemistry and Biochemistry Faculty Research

We present a partial ion yield experiment on freon 13, CF3Cl, excited in the vicinity of the C 1s and Cl 2p ionization thresholds. We have collected a large amount of cationic fragments and a few anionic fragments at both edges. We have observed a strong intensity dependence of Rydberg transitions with ion fragment size for the CFnCl+ and CFn+/F+ (n=0–3) series at both the Cl 2p and C 1s ionization edges. Selectivity in the fragmentation processes involving the C–Cl and C–F bonds are highlighted by the intensities of the C …

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Yttrium And Hydrogen Superstructure And Correlation Of Lattice Expansion And Proton Conductivity In The Bazr0.9y0.1o2.95 Proton Conductor, A. Braun, A. Ovalle, V. Pomjakushin, A. Cervellino, S. Erat, Wayne C. Stolte, T. Graule Jan 2009

Yttrium And Hydrogen Superstructure And Correlation Of Lattice Expansion And Proton Conductivity In The Bazr0.9y0.1o2.95 Proton Conductor, A. Braun, A. Ovalle, V. Pomjakushin, A. Cervellino, S. Erat, Wayne C. Stolte, T. Graule

Chemistry and Biochemistry Faculty Research

Bragg reflections in Y-resonant x-ray diffractograms of BaZr0.9Y0.1O2.95 (BZY10) reveal that Y is organized in a superstructure. Comparison with neutron diffraction superstructure reflections in protonated/deuterated BZY10 suggests that both superstructures are linked, and that protons move in the landscape imposed by the Y. The thermal lattice expansion decreases abruptly for protonated BZY10 at T≥648±20 K, coinciding with the onset of lateral proton diffusion and suggesting a correlation of structural changes and proton conductivity. The chemical shift in the Y L1-shell x-ray absorption spectra reveals a reduction from Y3+ toward Y2+ upon …

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The Effect Of Adsorbent Geometry And Surface Chemistry On Hplc Retention, Zhaoxia Liu Jan 2009

The Effect Of Adsorbent Geometry And Surface Chemistry On Hplc Retention, Zhaoxia Liu

Seton Hall University Dissertations and Theses (ETDs)

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Linear Dichroism In Resonant Inelastic X-Ray Scattering To Molecular Spin-Orbit States, Renaud Guillemin, Stephane Carniato, Wayne C. Stolte, Loic Journel, Richard Taieb, Dennis W. Lindle, Marc Simon Sep 2008

Linear Dichroism In Resonant Inelastic X-Ray Scattering To Molecular Spin-Orbit States, Renaud Guillemin, Stephane Carniato, Wayne C. Stolte, Loic Journel, Richard Taieb, Dennis W. Lindle, Marc Simon

Chemistry and Biochemistry Faculty Research

Polarization-dependent resonant inelastic x-ray scattering (RIXS) is shown to be a new probe of molecular-field effects on the electronic structure of isolated molecules. A combined experimental and theoretical analysis explains the linear dichroism observed in Cl 2p RIXS following Cl 1s excitation in HCl and CF3Cl as due to molecular-field effects, including singlet-triplet exchange, indicating polarized-RIXS provides a direct probe of spin-orbit-state populations applicable to any molecule.

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Corrosion Inhibition Of Self-Assembled Films On Iron By Electrochemical Impedance Spectroscopy, Yuan-Yuan Feng, Shen-Hao Chen, Juan-Juan Zhou, Wen-Juan Guo Aug 2008

Corrosion Inhibition Of Self-Assembled Films On Iron By Electrochemical Impedance Spectroscopy, Yuan-Yuan Feng, Shen-Hao Chen, Juan-Juan Zhou, Wen-Juan Guo

Journal of Electrochemistry

The self-assembled films of tetradecylamine were formed on iron surface, and the inhibition ability of which for iron corrosion in 0.5 mol/L H2SO4 solutions was studied by electrochemical impedance spectroscopy technique. Results indicated that longer immersion time would result in stronger inhibition ability of the films. The maximal inhibition efficiency(IE) of the tetradecylamine films was 68.7%. When the tetradecylamine films were modified by dodecylthiol, the mixed films became denser and more stable, thus the inhibition ability increased remarkably. The η of the mixed films increased to 78.2%.

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Cyclic Voltammetry And In Situ Ftir Studies Of Cyanide Adsorption On Nanostructured Au Film Electrode In Alkaline Solutions, Chun-Hua Zhen, Chun-Jie Fan, Shi-Gang Sun May 2008

Cyclic Voltammetry And In Situ Ftir Studies Of Cyanide Adsorption On Nanostructured Au Film Electrode In Alkaline Solutions, Chun-Hua Zhen, Chun-Jie Fan, Shi-Gang Sun

Journal of Electrochemistry

The adsorption of cyanide(CN-) on electrodes of nanometer scale thin film of gold supported on glassy carbon(nm-Au/GC) in alkaline solutions were investigated using cyclic voltammetry and in situ FTIR spectroscopy.It has revealed that the electrodeposited nanostructured Au thin film exhibited AIREs(abnormal infrared effects) for CN-adsorption,which manifested 3 nonlinear IR spectral features: inversion of the direction of CN-band,enhancement of IR absorption of adsorbed CN-species(about 39.2 folds) and increase in the FWHM(full width at half maximum) of CN-band.

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Preparation Of Halogenated Derivatives Of Thiazolo[5,4-D]Thiazole Via Direct Electrophilic Aromatic Substitution, Vladimir Benin, Alan T. Yeates, Douglas Dudis May 2008

Preparation Of Halogenated Derivatives Of Thiazolo[5,4-D]Thiazole Via Direct Electrophilic Aromatic Substitution, Vladimir Benin, Alan T. Yeates, Douglas Dudis

Chemistry Faculty Publications

Chlorination and bromination reactions of thiazolo[5,4-d]thiazole led to the generation of its mono- and dihalogenated derivatives. These are the first instances of successful direct electrophilic aromatic substitution in the thiazolo[5,4-d]thiazole ring system. X-ray analysis demonstrates that both 2-bromothiazolo[5,4-d]-thiazole and 2,5-dibromothiazolo[5,4-d]thiazole are planar structures, with strongly manifested π-stacking in the solid state. Theoretical analysis of the pyridine-catalyzed halogenation (MP2/6-31+G(d) and B3LYP/6-31+G(d)calculations) reveals that introduction of one halogen actually leads to a slightly enhanced reactivity towards further halogenation. Several halogenation mechanisms have been investigated: 1) The direct C-halogenation with N-halopyridine as electrophile; …

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In Situ Measurement Of Chloride Concentration And Ph Distribution In The Crevice During The Crevice Corrosion Of Copper Electronic Board, Min Zhang, Xiang-Dong Zhuo, Chang-Jian Lin Feb 2008

In Situ Measurement Of Chloride Concentration And Ph Distribution In The Crevice During The Crevice Corrosion Of Copper Electronic Board, Min Zhang, Xiang-Dong Zhuo, Chang-Jian Lin

Journal of Electrochemistry

Although the crevice corrosion of metals had been extensively studied in the past years,it remained lack of direct experimental information of the micro chemical environments and electrochemical conditions inside the corroding crevice.The distribution of chloride concentration and local pH in the occluded area are the most crucial factors in development of crevice corrosion.The array probes in one dimension of Ag/AgCl and IrO2 array were developed in this work to in situ follow the distribution of chloride concentration and local pH in the occluded area during the crevice corrosion propagation.Based on a designed simulated crevice corrosion system in 0.5mol/L NaCl …

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C–N Bond Rotation And E–Z Isomerism In Some N-Benzyl-N-Methylcarbamoyl Chlorides: A Dft Study, Michael Horwath, Vladimir Benin Feb 2008

C–N Bond Rotation And E–Z Isomerism In Some N-Benzyl-N-Methylcarbamoyl Chlorides: A Dft Study, Michael Horwath, Vladimir Benin

Chemistry Faculty Publications

The current report presents the first theoretical study of the restricted CN bond rotation in carbamoyl chlorides. Several N-benzyl-N-methylcarbamoyl chlorides were investigated, with varying pattern of substitution in the aromatic ring. Optimizations and frequency calculations were conducted employing DFT at the B3LYP/6-31+G(d) level of theory. Each of the studied structures exhibits a pair of rotamers (s-Z and s-E), generated upon rotation around the C(O)N bond. The s-E isomer is the global minimum in every case, but the preference for it is usually less than 1 kcal/mol. Two possible transition state structures were identified …

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Evaluation Of A Naive Model For Square Wave Voltammetry At A Microelectrode, Patrick Enright, John Cassidy, Tony Betts Jan 2008

Evaluation Of A Naive Model For Square Wave Voltammetry At A Microelectrode, Patrick Enright, John Cassidy, Tony Betts

Articles

A square wave voltammetric waveform ( SWV) was applied to an inlaid microdisk electrode in a solution of K4[Fe(CN)6]. A simple model relying on the assumption of steady state current throughout the scan was used to model the current potential behaviour. However, experimental peak current magnitudes were between 30% and 50% greater than those predicted by the model. The model predicts an increase of peak current and peak width at half height with pulse height Esw and no effect of the parameters frequency, f and step height, ΔEs. Experimental peak current magnitudes and peak current magnitudes predicted by the model …

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