Physical Sciences and Mathematics Commons^™

Computational Study About Noncovalent Bonding Systems Involving Halogen, Chalcogen And Pnicogen Bonds, Jia Lu

All Graduate Theses and Dissertations, Fall 2023 to Present

First terms used in this thesis are introduced and defined as follows. In the periodic table, the elements in the 17^th column are named halogen including fluorine (F), chlorine (Cl), bromine (Br) and iodine (I). The elements in the 16^th column are named chalcogen including oxygen (O), sulfur (S), selenium (Se) and tellurium (Te). The elements in the 15^th column are named pnicogen including nitrogen (N), phosphorus (P), arsenic (As) and antimony (Sb).

After hydrogen bonds (B-H⋅⋅⋅B) are well studied and understood by scientists and researchers, halogen bonds (R-X⋅⋅⋅B) have drawn attention due to the similarities in …

Designing And Studying Redox-Active Molecules For Energy Storage And Desalination, Wenda Wu

All Graduate Theses and Dissertations, Fall 2023 to Present

Since the fast growth of the global population, energy scarcity has become a new threat to modern society. Those commonly seen resources like fossil, coal, and natural gas are nonrenewable energies, which cannot be replenished by human-scale time. In contrast, wind, solar, and hydropower are the three main renewable green energies under development with great efforts around the world. However, the intermittent character of these powers raises a new question: how to store them properly on large scales? By 2021, more than 90% of the electricity storage was taken by Lithium-ion batteries (LIBs). The usage of lithium brings concerns about …

The Concept Of Multicenter Bonds In Chemistry And Materials Science, Nikolay V. Tkachenko

All Graduate Theses and Dissertations, Spring 1920 to Summer 2023

Chemical bonds are components of a universal and compact language of chemistry that was empirically developed before the modern concepts of quantum physics. This language explains how molecules and solids keep together. In particular, Lewis’s shared electron-pair bonding model may be considered the most successful and generally accepted theory of chemical bonding due to its simplicity and predictive power. However, there is an entire world of chemical species where the classical Lewis bonding language fails to describe the bonding pattern adequately. Those cases include but are not limited to compounds with a significant electron delocalization (where electron density spread on …