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Full-Text Articles in Physical Sciences and Mathematics

The Mechanisms Of Hydride Exchange, Organic Combination And Displacement Reactions, Weifang Hao May 2012

The Mechanisms Of Hydride Exchange, Organic Combination And Displacement Reactions, Weifang Hao

All Graduate Theses and Dissertations, Spring 1920 to Summer 2023

The primary aim of this dissertation was to seek the answer to the question: “Is the single transition-state model appropriate for the fundamental reactions in organic chemistry?” The goal was accomplished by performing enormous kinetic data collection and detailed mechanistic analysis on several typical fundamental organic chemical reactions. Three new methodologies for differentiating between a simple one-step and complex multi-step mechanism were developed and extensively confirmed during the application in the kinetic studies of all of the reaction discussed in this dissertation. The three methods consist of (1) half-life dependence of kapp, (2) sequential linear pseudo-first-order correlation, and (3) revised …


Rationalizing Structure, Stability, And Chemical Bonding Of Pure And Doped Clusters Isolated And Solvated Multiply Charged Anions, And Solid State Materials, Alina P. Sergeeva May 2012

Rationalizing Structure, Stability, And Chemical Bonding Of Pure And Doped Clusters Isolated And Solvated Multiply Charged Anions, And Solid State Materials, Alina P. Sergeeva

All Graduate Theses and Dissertations, Spring 1920 to Summer 2023

Chemistry is the study of materials and the changes that materials undergo. One can tune the properties of the known materials and design the novel materials with desired properties knowing what is responsible for the chemical reactivity, structure, and stability of those materials. The unified chemical bonding theory could address all these questions, but we do not have one available yet. The most accepted general theory of chemical bonding was proposed by Lewis in 1916, though Lewis’s theory fails to explain the bonding in materials with delocalized electron density such as sub-nano and nanoclusters, as well as aromatic organic and …