Publications by authors named "P Theule"

The measured nitrogen-to-carbon ratio in comets is lower than for the Sun, a discrepancy which could be alleviated if there is an unknown reservoir of nitrogen in comets. The nucleus of comet 67P/Churyumov-Gerasimenko exhibits an unidentified broad spectral reflectance feature around 3.2 micrometers, which is ubiquitous across its surface.

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The B̃A←X̃A electronic band system of the protonated diacetylene cation (HCH) is measured over the 230-295 nm range by photodissociating HCH ions stored in a cryogenic ion trap and by photodissociating HCH tagged with Ar and N in a tandem mass spectrometer. The B̃A←X̃A band system has an origin at 34 941 cm for HCH, 34 934 cm for HCH-Ar, and 34 920 cm for HCH-N. The spectra of HCH, HCH-Ar, and HCH-N display similar vibronic structure, which is assigned using ab initio calculations to progressions in two symmetric a C-C stretch vibrational modes (ν and ν), with band spacings of 860 and 1481 cm, respectively.

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The excited state properties of protonated ortho (2-), meta (3-), and para (4-) aminopyridine molecules have been investigated through UV photofragmentation spectroscopy and excited state coupled-cluster CC2 calculations. Cryogenic ion spectroscopy allows recording well-resolved vibronic spectroscopy that can be reproduced through Franck-Condon simulations of the ππ* local minimum of the excited state potential energy surface. The excited state lifetimes have also been measured through a pump-probe excitation scheme and compared to the estimated radiative lifetimes.

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The diffusion of molecules in interstellar ice is a fundamental phenomenon to take into account while studying the formation of complex molecules in this ice. This work presents a theoretical study on the diffusion of H2O, NH3, CO2, CO, and H2CO in the bulk of a low density amorphous (LDA) ice, while taking into account the physical conditions prevailing in space, i.e.

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