University of Illinois Urbana-Champaign

PHOTOISOMERIZATION OF (CYANOMETHYLENE)CYCLOPROPANE (C₅H₅N) IN A LOW TEMPERATURE RARE GAS MATRIX

Wood, Samuel A.

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6884.pdf
RH04_1.pptx

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https://hdl.handle.net/2142/122343

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Title
PHOTOISOMERIZATION OF (CYANOMETHYLENE)CYCLOPROPANE (C₅H₅N) IN A LOW TEMPERATURE RARE GAS MATRIX
Author(s)
Wood, Samuel A.
Contributor(s)
  • McMahon, Robert J.
  • Woods, R. Claude
  • Esselman, Brian J.
  • Kougias, Samuel M.
Issue Date
2023-06-22
Keyword(s)
Photodissociation and photochemistry
Abstract
The C₅H₅N potential energy surface is experimentally and computationally investigated through matrix isolation photolysis of 1-cyano-2-methylenecyclopropane, a pyridine isomer containing nitrile and methylenecyclopropane functional groups. Synthesis of the novel isomer 1-cyano-2-methylenecyclopropane, presented here for the first time, involves dehydration of the corresponding amide. 1-Cyano-2-methylenecyclopropane is also generated upon photoisomerization (λ>200 nm) of (cyanomethylene)cyclopropane in argon at 19 K. Under these irradiation conditions, the photoisomerization favors the formation of 1-cyano-2-methylenecyclopropane, for which the UV absorption is blue-shifted, relative to (cyanomethylene)cyclopropane. The solution-phase UV-vis spectra and matrix-isolation IR spectra of both pure species are presented and compared to predicted spectra obtained using TD-DFT and anharmonic vibrational frequency calculations, respectively. Photoisomerization to pyridine was not observed.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
Text
Genre of Resource
Conference Paper / Presentation
Language
eng
Handle URL
https://hdl.handle.net/2142/122343
DOI
https://doi.org/10.15278/isms.2023.6884

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Abstracts & Presentations - 2023 International Symposium on Molecular Spectroscopy PRIMARY