@article {BASHIRI2021111451,
	title = {Matrix isolation spectroscopy and conformational analysis of epichlorohydrin in solid parahydrogen},
	journal = {Journal of Molecular Spectroscopy},
	volume = {378},
	year = {2021},
	pages = {111451},
	abstract = {Fundamental vibrational modes of epichlorohydrin have been characterized in a solid parahydrogen matrix at 4.3 K using FTIR spectroscopy. All three stable conformations of epichlorohydrin, gauche-I, gauche-II and cis, were identified in the infrared spectra. The effect of chlorine isotopic substitution was also observed in the ν19 and ν20 vibrational modes, which correspond to the C-C-Cl bending and C-Cl stretching motions, respectively. The relative populations of three conformers of this molecule in parahydrogen have been experimentally determined from three well-separated fundamental modes (ν7,ν16 and ν18), and compared with Boltzmann populations derived from quantum chemical calculations at various temperatures. The analysis suggests that relative conformer population ratio of gauche-I:gauche-II:cis is ~65\%:~24\%:~11\% in solid parahydrogen at 4 K. This population agrees well with the equilibrium Boltzmann distribution at room temperature, which indicates that the conformational population is preserved during the cooling process in which the epichlorohydrin molecules are trapped in solid parahydrogen.},
	keywords = {conformational analysis, Infrared spectroscopy, Matrix isolation spectroscopy, Parahydrogen matrix},
	issn = {0022-2852},
	doi = {https://doi.org/10.1016/j.jms.2021.111451},
	url = {https://www.sciencedirect.com/science/article/pii/S0022285221000357},
	author = {Termeh Bashiri and Brendan Moore and Pavle Djuricanin and Takamasa MOMOSE}
}
@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}
}
