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Physical Chemistry

University of Colorado, Boulder

2019

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Full-Text Articles in Physics

Conformational Dependence Of Σ-Electron Delocalization In The Catenae Xnme2n+2, X = Si, Ge, Sn, And Pb, Milena Jovanovic Jan 2019

Conformational Dependence Of Σ-Electron Delocalization In The Catenae Xnme2n+2, X = Si, Ge, Sn, And Pb, Milena Jovanovic

Chemistry Graduate Theses & Dissertations

Bonds of σ type are the most common chemical bonds, dominating bonding in all molecules and defining the framework of a molecule. It has been long known that electrons in σ bonds can delocalize throughout a molecule. However, the nature of σ-electron delocalization is not fully understood due to its complexity. One of the important aspects of σ-electron delocalization is its conformational dependence, first noted in oligosilanes where properties of a molecule change drastically when it changes conformation. This dissertation describes efforts to understand the conformational dependence of σ delocalization in oligosilanes and their heavier analogs using simple intuitive models ...