Index Catalog // ScholarsArchive@OSU

Application of Density Functional Theory to Exploration of Reactions

Creator:: Feoktistova, Taisiia
Abstract:: My work has focused on using density functional theory to elucidate mechanisms of organocatalytic and transition metal catalyzed reactions by considering competing mechanisms. In each of the three presented studies computational investigation complemented experimental work by predicting stereoselectivity or revealing origins of stereo, regio, or chemoselectivity. A study on the...
Resource Type:: Dissertation
Full Text:: atoms; 4) the selectivity arises from strong preference for breaking C–H vs. C–F bond and forming of

Synthesis of novel ambifunctional atropisomeric 2,2',6,6'-tetrasubstituted biphenyls and investigation of their properties and organocatalytic activity

Creator:: Sephton, Mark Alan
Abstract:: Ambifunctional axially chiral 2,2',6,6'-tetrasubstituted biphenyls containing nucleophilic (or basic) functional groups juxtaposed with hydrogen-bond donors were synthesized and their properties studied. Applications for the prepared biaryls as potential organocatalysts for enantioselective carbon-carbon bond forming reactions were examined. Processes investigated included: aldol, Michael, nitroaldol (Henry), and Baylis-Hillman reactions. The novel amidoamine...
Resource Type:: Dissertation
Full Text:: ). 16-20 Ph O N B Ph H B H H H O Me RS RL 5 N B O Ph Ph Me H 4 CBS precursor

Synthesis of polybenzimidazoles from monomers containing flexible linkages

Creator:: Azmus, Dora J. Taylor
Abstract:: Polybenzimidazoles were synthesized from 3, 3', 4, 4'-tetraminobiphenyl (diaminobenzidine, or DAB) with orthoesters, carboxylic acid derivatives (an ester and an acid) and with m-benzenedialdehyde. The products were of low molecular weight, as evidenced by low inherent viscosity, except in the case of the dialdehyde plus DAB. The product of that...
Resource Type:: Masters Thesis
Full Text:: amidation followed by dehydration. Scheme 5 H2N OR I CO2 R 4. CH N H H2N OH H2N R. H, Aryl, Alkyl

Investigating Low-Frequency Vibrations in Condensed Matter Using Time-Resolved Third-Harmonic Generation Spectroscopy

Creator:: Wang, Liang
Abstract:: In this thesis, I present a new method we developed to study low frequency (< 700 cm⁻¹) vibrational dynamics: Time-resolved third-harmonic generation (TRTHG) spectroscopy. Among a variety of vibrational spectroscopy techniques, TRTHG differentiates itself with robustness, versatility, and simplicity. In TRTHG experiment, that involves only two ultrashort laser pulses, the...
Resource Type:: Masters Thesis
Full Text:: timescale in pure water and electrolyte in an aqueous solution (i.e., 4 M ZnCl2 in water) and corroborated

Active site studies and design of ligands for affinity column separation of 2,5-dihydroxyacetanilide epoxidase (DHAE) I and II

Creator:: Allen, Scott E.
Abstract:: A series of compounds, 7-8 and 20-25, were tested as competitive inhibitors of 2,5-dihydroxyacetanilide epoxidase I (DHAE I) and DHAE II. A Hammett plot was constructed for each enzyme to determine the effect of electron density on inhibition. DHAE I gave a linear, highly correlated plot (r²=0.91) that signifies the...
Resource Type:: Dissertation
Full Text:: vs 1348 respectively). OH i H H H Ny HON..( HOC"°0 0 4 S 6 Figure 10: Competitive inhibitors used

Steric effects in free-radical hydrogen atom abstraction reactions

Creator:: Totherow, William D.
Abstract:: A study of the relative rates of benzylic hydrogen abstractions from a series of meta and para substituted neopentylbenzenes by the bromine radical and trichloromethyl radical at 70°C has been carried out. Application of the Hammett equation yields p values of -0.75 for the bromine atom and -0.94 for the...
Resource Type:: Masters Thesis
Full Text:: cis (III) isomers in the ratio of 18.2:1. + CC1 4 Bz0 80°C CC13 I II H Cl H It has been shown

Chemistry of cyclobutane compounds

Creator:: Musa, Willie Edsel
Abstract:: Examination of a proposed reaction scheme to prepare bicyclo-(2.2.0)hexan-1-ol produced the first known condensation of an enamine with its carbonyl precursor. Hydrolysis of the resulting dienamine gave an unusual conjugated cyclobutenone in which the double bond is exocyclic. Characterization and reactions of the cyclobutenone were successfully carried out.
Resource Type:: Masters Thesis
Full Text:: condensation has resulted in spiro (2.4) heptan- 25 4-one. O •CH2CH2Br KOH -HBr O H The self condensation

Steric effects in hydrogen abstraction : the reaction of a-alkyltoluenes and a, a-dialkyltoluenes with the trichloromethyl radical

Creator:: Eghdami, Kombiz Oskui
Resource Type:: Masters Thesis
Full Text:: contribution from structure 2 (44). + . [XC 6 H 4 CH -H Br. XC 6 H 4 CH 2 1-1Br:*--I.XC H CH 2 H-Br] 1

Electrolyte Design: Improving Capacity and Structural Stability of Electrodes

Creator:: Xu, Yunkai
Abstract:: The grand plan of carbon neutralization and COP26 in Glasgow require a quick shift of energy sources from conventional fossil fuel to a more renewable substitute such as wind, or solar energy. However, the intermittency of those renewable energy sources does not meet the demand of the energy, which requires...
Resource Type:: Dissertation
Full Text:: have diverse options of charge carriers: from monovalent (H+, Li+) to multivalent (Ca2+, Al3+, Zn2

Synthetic Studies towards Highly Oxygenated Furanyl Diterpenoids

Creator:: Goswami, Subir
Abstract:: The furanyl diterpenoid family of natural products has drawn the attention of both synthetic organic chemists and pharmacologists due to their complex structural architectures and diverse biological activity. Among them, wortmannin has been most extensively studied for biological activities. All these furanyl diterpenoids consist of a highly strained naptha[1,8-bc]furan core,...
Resource Type:: Dissertation
Full Text:: . Chem. Soc. 2008, 130, 8604-7605. [4] (a) Brian, P. W.; Curtis, P. J.; Hemming, H. G.; Norris, G. L

ScholarsArchive@OSU

Application of Density Functional Theory to Exploration of Reactions

Synthesis of novel ambifunctional atropisomeric 2,2',6,6'-tetrasubstituted biphenyls and investigation of their properties and organocatalytic activity

Synthesis of polybenzimidazoles from monomers containing flexible linkages

Investigating Low-Frequency Vibrations in Condensed Matter Using Time-Resolved Third-Harmonic Generation Spectroscopy

Active site studies and design of ligands for affinity column separation of 2,5-dihydroxyacetanilide epoxidase (DHAE) I and II

Steric effects in free-radical hydrogen atom abstraction reactions

Chemistry of cyclobutane compounds

Steric effects in hydrogen abstraction : the reaction of a-alkyltoluenes and a, a-dialkyltoluenes with the trichloromethyl radical

Electrolyte Design: Improving Capacity and Structural Stability of Electrodes

Synthetic Studies towards Highly Oxygenated Furanyl Diterpenoids

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