@article {MIYAZAKI2021128986,
	title = {UV photochemistry of 1,3-cyclohexadiene isolated in solid parahydrogen},
	journal = {Journal of Molecular Structure},
	volume = {1224},
	year = {2020},
	pages = {128986},
	abstract = {<p>1,3-cyclohexadiene was isolated in solid parahydrogen, and its photochemical reactions were studied via irradiation with 193 nm photons from an ArF excimer laser. Photoproducts were identified using Fourier-transform infrared spectroscopy supported by density functional theory calculations. Photolysis with 193 nm light caused the formation of two well-characterized conformers of 1,3,5-hexatriene, tZt-1,3,5-hexatriene and tEt-1,3,5-hexatriene. A third initial photoproduct was identified as the conformer cZc-1,3,5-hexatriene, and its infrared spectrum was characterized for the first time. In addition, the bicyclo[2.2.0]hex-2-ene and 1-methyl-bicyclo[2.1.0]pent-2-ene were also found to be a minor products from photo-induced ring-closure reactions, where the latter further converts to 2-methyl-cyclopentadiene. The reaction mechanisms and stability of these products are discussed using infrared spectroscopy and density functional theory calculations.</p>},
	keywords = {1, 3-CYCLOHEXADIENE, Density functional theory calculations, Infrared spectroscopy, Matrix isolation, Solid parahydrogen, UV photochemistry},
	issn = {0022-2860},
	doi = {https://doi.org/10.1016/j.molstruc.2020.128986},
	url = {http://www.sciencedirect.com/science/article/pii/S0022286020313090},
	author = {Jun Miyazaki and Shin Yi Toh and Brendan Moore and Pavle Djuricanin and Takamasa MOMOSE}
}
