Off-campus University of Richmond users: To download campus access theses, please use the following link to log in to our proxy server with your university username and password.

Date of Award

2014

Document Type

Restricted Thesis: Campus only access

Degree Name

Bachelor of Science

Department

Chemistry

First Advisor

Dr. Carol Parish

Second Advisor

Dr. Kelling Donald

Abstract

Oligomeric models of silanes, siloxanes and siloxazanes with seven repeat units consisting of 4-, 6-, or 8-membered rings were designed and their conformations in chloroform were explored. The Low Mode-Monte Carlo conformational method was used to explore oligomeric flexibility on the OPLS-2005/GBSA(CHCl3) potential energy surface to obtain a set of low energy structures for each oligomer. These structures were then optimized using B3LYP/6-31G*/SCRF-PBF(CHCl3) calculations. The results indicate complex conformational dynamics with mostly non-planar, curved structures. Electron delocalization from the lone pair on N or O into d orbitals on Si was not observed.

Download

Share

COinS