Index Catalog // ScholarsArchive@OSU

Polyoxoniobates: fundamental solubility trend and their application in solution and on the surface of thin films

Creator:: Rahman, Tasnim
Abstract:: Polyoxometalates (POMs) are anions consisting of three or more early transition metals ™ (Gr V and VI) oxoanions (in their highest oxidation state) linked together by a shared oxygen bond to form a 3D framework. Polyoxometalates (POMs) are a rapidly growing class of metal oxo clusters with a wide range...
Resource Type:: Dissertation
Full Text:: two). Mark A. Rambaran, C. Andre Ohlin contributed to synthesizing the {TiNb9} and {Ti2Nb8} (chapter

Elucidating the Origins of Trends and Selectivities of Organic Reactions through Computations and Data Analysis Techniques

Creator:: Richardson, H. Camille
Abstract:: In this dissertation, a novel method for analyzing computed transition states (TS) for organic reactions is disclosed. It introduces the use of localization-delocalization matrices as parameters in a linear free energy relationship to determine the transition state interactions responsible for differences in energy between the major and minor TS in...
Resource Type:: Dissertation
Full Text:: Buchanan for patiently teaching me. Thank you to Alex Bruekner, and especially to Chris Malmberg, for

Structure-property Relationships of Transition Metal Oxides Containing Precious Metals

Creator:: Hapuraja Pathirannehelage, Vidhara H. P.
Abstract:: This dissertation presents a study of structure-property relationships within 3d/4d metal oxides containing precious metals through detailed structure refinements using high-resolution neutron and X-ray diffraction data along with exploration of the resultant properties. Oxides of 4d or 5d transition metals tend to show new topological phases due to significant spin-orbit...
Resource Type:: Dissertation
Full Text:: the compound showed its stability up to 730 ̊C in oxygen. Magnetic data shows a substantial

Unique Structural Properties and Motifs of Metal-Oxides from Solids to Clusters

Creator:: Malmberg, Christopher E.
Abstract:: In this dissertation, the structural properties, thermodynamics and defect behavior of amorphous metal oxides and polyoxometalates are studied. Amorphous metal oxides have many applications, most notably as a semiconducting material used as the active matrix of thin film transistors. Alas, the amorphous nature of these materials makes studying them rather...
Resource Type:: Dissertation
Full Text:: Kyle T. Vogt, Christopher E. Malmberg, Jacob C. Buchanan, George W. Mattson, G. Mirek Brandt, Dylan B

Expediting the Generation and Analysis of Amorphous Oxide Computational Models: Modeling Complex Systems Swiftly

Creator:: Buchanan, Jacob C.
Abstract:: In this dissertation, the process of computational modeling of amorphous oxide materials is studied. Amorphous oxides have random atomic arrangements with no long-range structural order which makes it difficult to study structure-property relationships. Despite the difficulties, amorphous oxides have great uses as semiconductors and dielectrics in thin-film transistors. The ability...
Resource Type:: Dissertation
Full Text:: ABSTRACT OF THE DISSERTATION OF Jacob C. Buchanan for the degree of Doctor of Philosophy in Chemistry

Studies of Structurally Complex Thin Film Oxides for Electronic Materials

Creator:: Fast, Dylan Braucht
Abstract:: In this dissertation, the structure and electronic properties of multiple metal oxide thin films are characterized and presented. Prompt inorganic condensation (PIC) of metal-oxo and –hydroxo clusters was evaluated as a technique for making metal oxide clusters in two separate studies. The first focuses on the synthesis of lithium niobate...
Resource Type:: Dissertation
Full Text:: research. To the Cheong research group, Ryne Johnston, Maduka Ogba, Jacob Buchanan, Chris Malmberg

Computational Rationalizations of Mechanism and Stereocontrol in Small-Molecule Lewis Base Organocatalysis

Creator:: McCauley-Walden, Daniel W.
Abstract:: My work has focused on investigating synthetic organic reactions using applied computational methods. Non-covalent interactions are critical to catalysis, mechanism, and stereoselectivity, with the most prominent interaction for isothioureas being the S···O contact between the catalyst sulfur atom and the oxygen of the acyl group. A comprehensive joint experimental and...
Resource Type:: Dissertation
Full Text:: , a C–H···O between the substrate and the catalyst oxygen atom favors lactonization. Computed TSs

Structure-Property Relationships of Disordered Electronic Materials : From Crystalline to Amorphous

Creator:: Surta, Todd Wesley, Jr.
Abstract:: Two perovskite materials (Bi0.5(A)0.5)(Sc0.5Nb0.5)O3, where A = K+ and Na+ were synthesized phase pure for the first time. Their structures were determined by indexing synchrotron X-ray diffraction data and subsequent combined Rietveld refinement on neutron and synchrotron X-ray diffraction data revealing significant disorder on the A-sites of these materials. A...
Resource Type:: Dissertation
Full Text:: in A = K+, but the tilting of BO6 octahedra along the c-axis was found to be disordered. A 15% tilt

Probing Aqueous Ion-Pairing and Speciation of Group V Polyoxometalates

Creator:: Sures, Dylan J.
Abstract:: Polyoxometalates are discrete anionic oxo clusters of the Group V and VI transition metals that can be conceptualized as molecular metal oxides. Because they are pairable with any alkali cation, a great deal of fundamental chemistry can be gleaned from their study, including solubility trends and insight into cation binding...
Resource Type:: Dissertation

Femtosecond Stimulated Raman Studies of Excited State Structural Events

Creator:: Tang, Longteng
Abstract:: Femtosecond stimulated Raman spectroscopy (FSRS) is an ultrafast vibrational technique which allows rapid collection of Raman spectra with simultaneously high temporal and spectral resolution. With the recent development of FSRS methodology, three FSRS techniques (conventional, tunable, and anti-Stokes) have been implemented in our laboratory to dissect the excited state structural...
Resource Type:: Dissertation

ScholarsArchive@OSU

Polyoxoniobates: fundamental solubility trend and their application in solution and on the surface of thin films

Elucidating the Origins of Trends and Selectivities of Organic Reactions through Computations and Data Analysis Techniques

Structure-property Relationships of Transition Metal Oxides Containing Precious Metals

Unique Structural Properties and Motifs of Metal-Oxides from Solids to Clusters

Expediting the Generation and Analysis of Amorphous Oxide Computational Models: Modeling Complex Systems Swiftly

Studies of Structurally Complex Thin Film Oxides for Electronic Materials

Computational Rationalizations of Mechanism and Stereocontrol in Small-Molecule Lewis Base Organocatalysis

Structure-Property Relationships of Disordered Electronic Materials : From Crystalline to Amorphous

Probing Aqueous Ion-Pairing and Speciation of Group V Polyoxometalates

Femtosecond Stimulated Raman Studies of Excited State Structural Events

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