University of Illinois Urbana-Champaign

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

Prozument, Kirill

Content Files
6869.pdf
FE03_1.pptx

Permalink

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

Description

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
Genre of Resource
Conference Paper / Presentation
Language
eng
Handle URL
https://hdl.handle.net/2142/122331
DOI
https://doi.org/10.15278/isms.2023.6869

Owning Collections

Abstracts & Presentations - 2023 International Symposium on Molecular Spectroscopy PRIMARY