Photoelectron Spectra and Formation Mechanisms of Interstellar C3H2O Isomers from Quantum Mechanical Calculations

Author

Rebecca JohnsonFollow

Date of Award

12-17-2019

Degree Type

Closed Thesis

Degree Name

Master of Science (MS)

Department

Chemistry

First Advisor

Dr. Samer Gozem

Second Advisor

Dr. Donald Hamelberg

Third Advisor

Dr. Kathryn Grant

Abstract

Investigating the elusive relationship between our interstellar medium and its assortment of complex organic molecules (COMs) allows us to explore possible precursors to the building blocks of life. A wealth of COMs including aldehydes, ketones, alcohols, and esters have been detected in a giant molecular cloud almost 26,000 light-years away from Earth named Sagittarius B2. This includes exotic COMs that must have been formed from non-equilibrium reactions. Spectroscopic studies by Kaiser and coworkers¹ investigated the formation and abundances of C₃H₂O isomers from carbon monoxide and acetylene in reaction conditions similar to those on interstellar ice grain surfaces found within Sagittarius. Following recent computational and experimental efforts², the excited state chemistry for the formation of C₃H₂O compounds is explored in more depth. In this contribution, we will simulate photoelectron spectra and provide molecular-level insight into the formation of these isomers on the basis of ground and excited state quantum mechanical calculations.

DOI

https://doi.org/10.57709/15908920

Recommended Citation

Johnson, Rebecca, "Photoelectron Spectra and Formation Mechanisms of Interstellar C3H2O Isomers from Quantum Mechanical Calculations." Thesis, Georgia State University, 2019.
doi: https://doi.org/10.57709/15908920

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