Weakly-bound Complex Formation Between Hcn And Ch3cl: A Matrix-isolation And Computational Study

Hockey, Emily K.

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https://hdl.handle.net/2142/116940 Copy

Description

Title

Weakly-bound Complex Formation Between Hcn And Ch3cl: A Matrix-isolation And Computational Study

Author(s)

Hockey, Emily K.

Contributor(s)

• Dodson, Leah G.
• Palko, Jessica
• Howard, Thomas
• Vlahos, Korina

Issue Date

2022-06-21

Keyword(s)

Vibrational structure/frequencies

Abstract

Matrix-isolation spectroscopy is used to characterize the weakly-bound complex(es) of hydrogen cyanide with methyl chloride, two astrophysically relevant molecules. HCN and its polymers captivate interstellar discussions of prebiotic monomers and other life-bearing polymers, while CH$_{3}$Cl leads as the first organohalogen detected in space. This highlights the importance of studying their reactivity. In this talk, we will describe our new matrix-isolation instrument, constructed at the University of Maryland, and how we identify the structure of the weakly-bound complexes [(HCN){\textit{$_{n}$}}CH$_{3}$Cl] that form upon co-condensation of HCN and CH$_{3}$Cl in an argon matrix. Infrared spectroscopy is used in tandem with quantum chemistry calculations to characterize the vibrational spectrum of the resulting complexes. Our work reveals preferential formation of matrix-isolated HCN trimer species in the presence of CH$_{3}$Cl, qualitatively characterized by non-covalent interactions though natural bond orbital calculations. Finally, we will discuss the astrochemical implications of the resulting complexes and HCN trimer formation.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Handle URL

https://hdl.handle.net/2142/116940&&

DOI

https://doi.org/10.15278/isms.2022.TG04

Copyright and License Information

Copyright 2022 held by the authors

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