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Full-Text Articles in Physical Sciences and Mathematics
Research Instrumentation Center (Ric), Ryan Hilger, Purdue University Office Of Research
Research Instrumentation Center (Ric), Ryan Hilger, Purdue University Office Of Research
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Improving Cavity Enhanced Spectroscopy Of Molecular Ions In The Mid-Infrared With Up-Conversion Detection And Brewster-Plate Spoilers, Charles R. Markus, Adam J. Perry, James N. Hodges, Benjamin J. Mccall
Improving Cavity Enhanced Spectroscopy Of Molecular Ions In The Mid-Infrared With Up-Conversion Detection And Brewster-Plate Spoilers, Charles R. Markus, Adam J. Perry, James N. Hodges, Benjamin J. Mccall
Chemistry & Biochemistry Faculty Publications
The performance of sensitive spectroscopic methods in the mid-IR is often limited by fringing due to parasitic etalons and the background noise in mid-infrared detectors. In particular, the technique Noise Immune Cavity Enhanced Optical Heterodyne Velocity Modulation Spectroscopy (NICE-OHVMS), which is capable of determining the frequencies of strong rovibrational transitions of molecular ions with sub-MHz uncertainty, needs improved sensitivity in order to probe weaker transitions. In this work, we have implemented up-conversion detection with NICE-OHVMS in the 3.2 - 3.9 μm region to enable the use of faster and more sensitive detectors which cover visible wavelengths. The higher bandwidth enabled …
Why Are The Nitro And Sulfone Groups Poor Hydrogen Bonders?, Charles A. Kingsbury
Why Are The Nitro And Sulfone Groups Poor Hydrogen Bonders?, Charles A. Kingsbury
Chemistry Department: Faculty Publications
The interactions of water or methanol with nitromethane and dimethyl sulfone vs. comparison molecules, e.g. dimethylsulfoxide (DMSO), are reported. For nitromethane with water, the classical (edgewise) hydrogen bonded configuration is modestly stabilizing. However, the approach of water over the face of the nitro group is preferred in AM1 calculations. Generally, molecules such as sulfones and nitro compounds have lower energy bonding orbitals than sulfoxides. The energy of the n δ σ* interaction (e.g. nitro lone pair to O-H of water) thus is larger for the nitro and sulfone cases, and this interaction is less prevalent than other cases. Since …
Visible And Infrared Spectroelectrochemistry Of Zinc And Manganese Porphinones: Metal Vs. Porphyrin Reduction, Florentina Tutunea, Abderrahman Atifi, Michael D. Ryan
Visible And Infrared Spectroelectrochemistry Of Zinc And Manganese Porphinones: Metal Vs. Porphyrin Reduction, Florentina Tutunea, Abderrahman Atifi, Michael D. Ryan
Chemistry Faculty Research and Publications
The visible and infrared spectroelectrochemistry of zinc and manganese porphinones and porphinediones was carried out in THF solutions. The aim of this work was to use FTIR spectroelectrochemistry and DFT calculation to determine whether the reduction was centered predominantly on the metal or the macrocycle. For zinc(II), the first one-electron reduction must occur on the macrocyclic ring because the metal’s d-orbitals are filled (d10). The carbonyl bands on the macrocyclic ring were used to probe the electronic structure because they can be readily observed in the infrared spectra. The results of this study are complementary to previous spectroelectrochemical …
Small Carbon Chains In Circumstellar Envelopes, R. J. Hargreaves, K. Hinkle, P. F. Bernath
Small Carbon Chains In Circumstellar Envelopes, R. J. Hargreaves, K. Hinkle, P. F. Bernath
Chemistry & Biochemistry Faculty Publications
Observations of carbon-rich circumstellar envelopes were made using the Phoenix spectrograph on the Gemini South telescope to determine the abundance of small carbon chain molecules. Vibration-rotation lines of the ν3 antisymmetric stretch of C3 near 2040 cm-1 (4.902 μm) have been used to determine the column density for four carbon-rich circumstellar envelopes: CRL 865, CRL 1922, CRL 2023 and IRC +10216. We additionally calculate the column density of C5 for IRC +10216, and provide an upper limit for five more objects. An upper limit estimate for the C7 column density is also provided for IRC+10216. A …
Visible And Infrared Spectroelectrochemistry Of Cobalt Porphinones And Porphinediones, Florentina Tutunea, Michael D. Ryan
Visible And Infrared Spectroelectrochemistry Of Cobalt Porphinones And Porphinediones, Florentina Tutunea, Michael D. Ryan
Chemistry Faculty Research and Publications
The visible and infrared spectroelectrochemistry of the redox chemistry of CoII–porphinone complexes were examined and compared with similar studies of the respective iron complexes. Cobalt(II) porphinone complexes undergo a one-electron reduction and two one-electron oxidations within the potential region that was studied in this work. The one electron spectroelectrochemical reduction of CoII(P) (P = octaethylporphyrin (OEP), octaethylporphinone (OEPone), and octaethylporphinedione (OEPdione)) were studied using visible spectroscopy, and their cobalt(I) complexes were characterized. The same reduction was examined by FTIR spectroscopy for P = OEPone and OEPdione. The infrared spectra showed downshifts of the νCO band …
Composition Ot Glvceride Esters Of Lauric Acid Bv Ftir Band Shape Analysis, Deniz P. Wong, Modesto Tan Chua, Erwin P. Enriquez
Composition Ot Glvceride Esters Of Lauric Acid Bv Ftir Band Shape Analysis, Deniz P. Wong, Modesto Tan Chua, Erwin P. Enriquez
Chemistry Faculty Publications
Synthesis of glyceride esters of a fatty acid produces a mixture of isomers that are difficult to separate and analyze, requiring high temperature GC in most cases particularly for long-chain esters. In this paper, we present a fast estimation of the composition of the glyceride esters of lauric acid and glycerol (monolaurin, dilaurin, and trilaurin) by FTIR band shape analysis. The method uses the fact that the carbonyl stretching regions of the pure glycerides have differentband shapes, which implies any composite band of a mixture of glycerides may be resolved into the component peaks due to each glyceride. The carbonyl …
Tuning Supported Catalyst Reactivity With Dendrimer-Templated Pt-Cu Nanoparticles, Natalie N. Hoover, Bethany J. Auten, Bert D. Chandler
Tuning Supported Catalyst Reactivity With Dendrimer-Templated Pt-Cu Nanoparticles, Natalie N. Hoover, Bethany J. Auten, Bert D. Chandler
Chemistry Faculty Research
The effects of particle composition on heterogeneous catalysis were studied using dendrimer-encapsulated nanoparticles (DENs) as precursors to supported Pt-Cu catalysts. Bimetallic Pt-Cu DENs with varying Pt/Cu ratios were prepared in an anaerobic aqueous solution and deposited onto a high-purity commercial alumina support. The dendrimer template was then thermally removed to yield supported nanoparticle catalysts, which were studied with toluene hydrogenation and CO oxidation catalysis as well as infrared spectroscopy of adsorbed CO. Incorporating Cu into Pt nanoparticles had opposite effects on the two test reactions. Cu acted as a mild promoter for CO oxidation catalysis, and the promoting effect was …
Synthesis And Characterization Of Dendrimer Templated Supported Bimetallic Pt-Au Nanoparticles, Huifang Lang, S. Maldonado, K. J. Stevenson, Bert D. Chandler
Synthesis And Characterization Of Dendrimer Templated Supported Bimetallic Pt-Au Nanoparticles, Huifang Lang, S. Maldonado, K. J. Stevenson, Bert D. Chandler
Chemistry Faculty Research
Bimetallic dendrimer-stabilized nanoparticles (DSNs) were used to prepare supported Pt-Au catalysts within the bulk miscibility gap for this binary system. Hydroxy-terminated generation 5 PAMAM dendrimers were used to prepare Cu0 nanoparticles (NPs). The Cu0 NPs were subsequently used to reduce K2PtCl4 and HAuCl4, preparing stabilized bimetallic Pt-Au NPs with a 1:1 stoichiometry. The stabilized NPs were adsorbed onto a high surface area silica support and thermally activated to remove the dendrimers. Transmission electron microscopy (TEM), energy dispersive spectroscopy (EDS), and infrared spectroscopy of adsorbed CO showed that this preparation route resulted in NPs in …