FORMAMIDE 193 NM PHOTODISSOCIATION DYNAMICS INVESTIGATED WITH TIME-RESOLVED CHIRPED-PULSE MILLIMETER-WAVE SPECTROSCOPY AND AB INITIO THEORY

Prozument, Kirill

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https://hdl.handle.net/2142/122331 Copy

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Title

FORMAMIDE 193 NM PHOTODISSOCIATION DYNAMICS INVESTIGATED WITH TIME-RESOLVED CHIRPED-PULSE MILLIMETER-WAVE SPECTROSCOPY AND AB INITIO THEORY

Author(s)

Prozument, Kirill

Contributor(s)

• Jasper, Ahren W
• Seifert, Nathan A.
• Caster, Kacee L.

Issue Date

2023-06-23

Keyword(s)

Photodissociation and photochemistry

Abstract

Formamide, NH₂CHO, is invoked in the prebiotic chemistry on Earth and outside of our planet because it is the simplest molecule containing a peptide linkage [−NH − C(= O)−] that has a relatively high boiling point of 210°C. There are few laboratory studies on its photodissociation possibly because the formamide vapor pressure is too low for supersonic jet experiments. In this work, we use a low-pressure (1 µbar) flow-tube reactor and in situ chirped-pulse Fourier transform millimeter-wave (CP-FTmmW) spectroscopy in the 260–290 GHz region to study the post-photolysis kinetics of the HCN, HNC, HNCO, and HCO products of the 193 nm photodissociation of formamide. The time evolution of the HCN and HNC CP-FTmmW signals is analyzed alongside complementary ab initio quasiclassical trajectory and transition state theory calculations to understand the dynamics on the NH₂CHO potential energy surface following absorption of a UV photon. The HCN/HNC branching is deduced, with good agreement demonstrated for the experimental and theoretical results.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

eng

Handle URL

https://hdl.handle.net/2142/122331

DOI

https://doi.org/10.15278/isms.2023.6869

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