Rovibrational Characterization of Astrochemically-relevant Small Oxides

Author

Olivia Ann Harwick, University of MississippiFollow

Date of Award

1-1-2024

Document Type

Thesis

Degree Name

M.S. in Chemistry

First Advisor

Ryan C. Fortenberry

Second Advisor

Jennifer Gifford

Third Advisor

Eden Tanner

School

University of Mississippi

Relational Format

dissertation/thesis

Abstract

Quantum chemical techniques can serve to unravel the chemical complexity in both the laboratory and astronomical observation. However, complete sets of spectral reference data for some molecules are often absent from the current chemical census, but modern quantum chemistry can provide full spectral characterization for nearly any small molecule of interest. This thesis provides such complete, high-level, and modern rovibrational information for a series of small molecules. More specifically, quartic force fields elucidate anharmonic vibrational frequencies and rotational constants for small, cyclic oxides, all of which contain either aluminum, silicon, or carbon. Such information facilitates definitive detection in observational, chemical regimes.

Recommended Citation

Harwick, Olivia Ann, "Rovibrational Characterization of Astrochemically-relevant Small Oxides" (2024). Electronic Theses and Dissertations. 2939.
https://egrove.olemiss.edu/etd/2939