UV photochemistry of 1,3-cyclohexadiene isolated in solid parahydrogen

Journal of Molecular Structure(2021)

Cited 3|Views9
No score
Abstract
•Photochemistry of 1,3-cyclohexadiene in solid parahydrogen were investigated by a joint use of infrared spectroscopy and density functional theory calculations.•The trans-E-trans-1,3,5-hexatriene and trans-Z-trans 1,3,5-hexatriene as main, and the cis-Zcis-1,3,5-HT, which is a start molecule of the ring-opening reaction of 1,3-CHD, are observed as the photoproducts of 1,3-cyclohexadiene by 193 nm light irradiation.•The bicyclic molecules, bicyclo[2.2.0]hex-‑2-ene and 1-methyl-bicyclo[2.1.0]pent‑2-ene, are also produced by photochemical ring-closing and ring-opening reaction of 1,3-cyclohexadiene.
More
Translated text
Key words
UV photochemistry,1,3-Cyclohexadiene,Solid parahydrogen,Matrix isolation,Infrared spectroscopy,Density functional theory calculations
AI Read Science
Must-Reading Tree
Example
Generate MRT to find the research sequence of this paper
Chat Paper
Summary is being generated by the instructions you defined