Abstract:Methyl propiolate (HC≡CCOOCH3, MP) isolated in argon and nitrogen matrices was experimentally studied by infrared spectroscopy and by quantum chemical calculations. The calculations, carried out at the DFT(B3LYP) and MP2 levels of theory, predict the existence of two planar conformers. In situ broadband UV light ( 200 nm) irradiation of matrix-isolated MP, led to the production of new bands ascribed to conformer II´, testifying the occurrence of the I´→ II´ photoisomerization. No other photochemical process… Show more
Recent developments of low-temperature techniques are providing valuable knowledge about chemical processes that manifest in the quantum regimen. Tunneling effect from the vibrational ground-state is the main mechanism of these...
Recent developments of low-temperature techniques are providing valuable knowledge about chemical processes that manifest in the quantum regimen. Tunneling effect from the vibrational ground-state is the main mechanism of these...
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