Browsing Chemistry Faculty Research, Publications and Presentations by Title

Now showing items 93-112 of 233

  • Influence of B-Ring Modifications on Proton Affinity, Transmembrane Anion Transport and Anti-Cancer Properties of Synthetic Prodigiosenes 

    Marchal, E., Rastogi, S., Thompson, A., & Davis, J. T. (2014). Influence of B-ring modifications on proton affinity, transmembrane anion transport and anti-cancer properties of synthetic prodigiosenes. Organic & biomolecular chemistry, 12(38), 7515-7522. doi: 10.1039/c4ob01399a.
    Prodigiosin is the parent compound of the tripyrrolic natural products known as the prodigiosenes. Some of these natural products and their synthetic analogs show anti-cancer, immunosuppressive and antimicrobial actions, ...

  • Influence of sample oxidation on the nature of optical luminescence from porous silicon 

    Coulthard, I., WJ Antel, JW Freeland, TK Sham, et al. 2000. "Influence of sample oxidation on the nature of optical luminescence from porous silicon." Applied Physics Letters 77(4): 498-500.
    No abstract available.

  • Inorganic Compounds as Binders for Si-Alloy Anodes 

    Congxiao Wei and M. N. Obrovac. Inorganic Compounds as Binders for Si-Alloy Anodes. J. Electrochem. Soc. (2021), 168(2), 020505.
    The inorganic compounds, lithium polysilicate (Li2Si5O11), sodium polyphosphate ((NaPO3)n), and lithium phosphate monobasic (H2LiPO4) were investigated as the sole binders in Si-alloy and graphite electrodes for Li cells. ...

  • Interplay between London Dispersion, Hubbard U, and Metastable States for Uranium Compounds 

    M. S. Christian, E. R. Johnson, T. M. Besmann, Interplay between London Dispersion, Hubbard U, and Metastable States for Uranium Compounds, J. Phys. Chem. A 125, 2791–2799 (2021)

  • Interrogating the Becke’05 density functional for non-locality information 

    J. Chem. Phys. 147, 154103 (2017)

  • Intramolecular nucleophilic displacement of halogen by phosphinate and thiophosphinate anions: relative rates of formation of five- and six-membered rings 

    Chaudhry, A., MJP Harger, P. Shuff, and A. Thompson. 1999. "Intramolecular nucleophilic displacement of halogen by phosphinate and thiophosphinate anions: relative rates of formation of five- and six-membered rings." Journal of the Chemical Society-Perkin Transactions 1: 1347-1352.
    No abstract available.

  • Intramolecular Nucleophilic-Substitution by Phosphinate and Thiophosphinate Anions - Relative Rates of Formation of 5-Membered and 6-Membered Rings 

    CHAUDHRY, A., MJP HARGER, P. SHUFF, and A. THOMPSON. 1995. "Intramolecular Nucleophilic-Substitution by Phosphinate and Thiophosphinate Anions - Relative Rates of Formation of 5-Membered and 6-Membered Rings." Journal of the Chemical Society-Chemical Communications: 83-84.
    No abstract available.

  • Investigation of factors affecting crystallization of cyclopentane clathrate hydrate 

    Reproduced from Whitman, Catherine A., Roman Mysyk, and Mary Anne White. 2008. "Investigation of factors affecting crystallization of cyclopentane clathrate hydrate." Journal of Chemical Physics 129(17): 174502-174502, with the permission of AIP Publishing.
    We report the results of systematic investigations of the influence of thermal history and other factors on crystallization of a model clathrate hydrate (cyclopentane hydrate) studied as water-in-oil and oil-in-water ...

  • An Investigation of the Fe-Mn-Si System for Li-Ion Battery Negative Electrodes 

    Yidan Cao, Benjamin Scott, R.A. Dunlap, Jun Wang and M.N. Obrovac, An Investigation of the Fe-Mn-Si System for Li-Ion Battery Negative Electrodes, J. Electrochem. Soc., 166 (2019) A21-A26. doi: 10.1149/2.1111816jes
    Fe-Mn-Si alloys prepared by ball milling were investigated as negative electrodes for Li-ion batteries. X-ray diffraction and room temperature 57Fe Mössbauer measurements were used to characterize alloy structure, which ...

  • Investigation of the NaNixMn1-xO2 (0 ≤ x ≤ 1) System for Na-ion Battery Cathode Materials (Preprint) 

    Published Version: R. Fielden and M. N. Obrovac, Investigation of the NaNixMn1-xO2 (0 ≤ x ≤ 1) System for Na-Ion Battery Cathode Materials, J. Electrochem. Soc., 162 (2015), A453-A459. https://doi.org/10.1149/2.0551503jes
    Layered NaNixMn1-xO2 (0 ≤ x ≤ 1) oxides were prepared via solid state reactions. Different reaction conditions were required to obtain phase pure samples, depending on the value of x. The 0 ≤ x ≤ 0.1 compositions were ...

  • Investigations into the nucleophilic meso-substitution of F-BODIPYs and improvements to the synthesis of 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene. 

    Crawford, Sarah M., and Alison Thompson. 2011. "Investigations into the nucleophilic meso-substitution of F-BODIPYs and improvements to the synthesis of 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene." Heterocycles 83(2): 311-322.
    A series of three F-BODIPYs, with varying levels of steric crowding about the meso-position were selected to investigate nucleophilic meso-substitution of F-BODIPYs. The synthesis of one of these F-BODIPYs, 4,4-difluor ...

  • Investigations regarding the utility of prodigiosenes to treat leukemia 

    Smithen, Deborah A., A. Michael Forrester, Dale P. Corkery, Graham Dellaire, et al. 2013. "Investigations regarding the utility of prodigiosenes to treat leukemia." Organic & Biomolecular Chemistry 11(1): 62-68.
    Prodigiosenes, possessing a 4-methoxypyrrolyldipyrrin skeleton, are known for their anti-cancer activity. Structural modification of the C-ring resulted in a series of prodigiosenes that displayed promising activity against ...

  • The ionic versus metallic nature of 2D electrides: A density-functional description 

    Dale, Stephen; and Johnson, Erin. (2017). The ionic versus metallic nature of 2D electrides: A density-functional description. Physical Chemistry Chemical Physics, 19, 27343-27352. https://doi.org/10.1039/C7CP04825D

  • Isolation and characterization of a novel tetrahydro-[2,2 ']bipyrrolyl dimer as an impurity from a Knorr reaction 

    Thompson, A., Y. Alattar, CS Beshara, RK Burley, et al. 2004. "Isolation and characterization of a novel tetrahydro-[2,2 ']bipyrrolyl dimer as an impurity from a Knorr reaction." Journal of Heterocyclic Chemistry 41(5): 777-781.
    A novel dimer, tetraethyl 2,2',3,3'-tetramethyl-1,1',2,2'-tetrahydro-4H,4'H-2,2'-bipyrrolyi-5,5,5',5'-tetracarboxylate, has been isolated as an impurity (0.4% yield) from a Knorr reaction for the synthesis of ...

  • Isothermal Calorimetry Evaluation of Metallurgical Silicon as a Negative Electrode Material for Li-Ion Batteries 

    Chevrier, Zilai Yan, Stephen L. Glazier, M. N. Obrovac and L.J. Krause. Isothermal Calorimetry Evaluation of Metallurgical Silicon as a Negative Electrode Material for Li-Ion Batteries. J. Electrochem. Soc. (2021), 168 (3), 030504.
    The structural evolution of Si during lithiation and delithiation is uniquely dependent on the cycling conditions and can show either reversible or path dependent behavior. In this paper, metallurgical Si (large crystalline ...

  • Lab-scale chemical vapor deposition onto powders 

    113. Jun Wang and M.N Obrovac. Lab-scale Chemical Vapor Deposition onto Powders. AIP Advances, 12 (2022) 075209. doi: https://doi.org/10.1063/5.0095882
    In this paper, a laboratory chemical vapor deposition (CVD) reactor is described, which features an opposing screw rotating fluidized bed. The reactor efficiently concentrates powdered reactants in the reaction zone while ...

  • Li Insertion in Ball Milled Si-Mn Alloys 

    Yidan Cao, J.C. Bennett, R.A. Dunlap and M.N. Obrovac, Li Insertion in Ball Milled Si-Mn Alloys, J. Electrochem. Soc., 165 (2018) A1734-A1740.
    Si1-xMnx (0 ≤ x ≤0.5, x=0.05)alloyswereprepared by ball milling and studied as negative electrode materials in Li cells. These alloys were found to be unique amongtransition metals. When x ≤ 0.35, the alloys are essentially ...

  • Li-ion Battery Negative Electrodes Based on the FexZn1-x Alloy System (Preprint) 

    Published Version: L. MacEachern, R.A. Dunlap and M.N. Obrovac, Li-ion Battery Negative Electrodes Based on the FexZn1−x Alloy System, J. Non-Cryst. Solids, 409 (2015), 183-190. https://doi.org/10.1016/j.jnoncrysol.2014.11.026
    Thin-film Fe-Zn libraries were investigated as negative electrode materials for Li-ion batteries using combinatorial and high-throughput techniques. X-ray diffraction, Mössbauer effect spectroscopy and electron microprobe ...

  • Li15Si4 Formation in Silicon Thin Film Negative Electrodes 

    D.S. Iaboni and M.N. Obrovac, Li15Si4 Formation in Silicon Thin Film Negative Electrodes, J. Electrochem. Soc., 163 (2016), A255-A261.
    The conditions for Li15Si4 formation in Si thin film negative electrodes was studied during charge and discharge cycling in lithium cells. It was found that Li15Si4 formation can be suppressed during cycling of Si thin ...

  • LiF as an Alloy Component or Slurry Additive in Si-Alloy Anodes 

    Robert S. Young, Benjamin Scott, Congxiao Wei and M. N. Obrovac. LiF as an Alloy Component or Slurry Additive in Si-Alloy Anodes. J. Electrochem. Soc. (2020), 167 (16), 160524.
    Electrolyte additives are commonly used to improve electrochemical performance in Li-ion cells. The use of solids as electrolyte additives is far less common. Here, Si40'(FeSi2)(60−x)'(LiF)(x)' (' = volume percent) alloys ...