Propyne-water complexes hosted in helium droplets
| Autor: | M. Briant, Benoît Soep, Jean-Michel Mestdagh, Marc-André Gaveau, Alejandro Gutiérrez-Quintanilla, Lionel Poisson, E. Mengesha |
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| Přispěvatelé: | Institut des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), Dynamique Réactionnelle (DyR), Institut Rayonnement Matière de Saclay (IRAMIS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Laboratoire Interactions, Dynamiques et Lasers (ex SPAM) (LIDyl), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Interactions, Dynamiques et Lasers (ex SPAM) (LIDyl), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS) |
| Jazyk: | angličtina |
| Rok vydání: | 2019 |
| Předmět: |
010302 applied physics
Materials science Physics and Astronomy (miscellaneous) Absorption spectroscopy Spectrum (functional analysis) General Physics and Astronomy chemistry.chemical_element Ring (chemistry) Propyne 01 natural sciences [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry chemistry.chemical_compound chemistry Ab initio quantum chemistry methods 0103 physical sciences Moiety Physical chemistry [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph] 010306 general physics Helium |
| Zdroj: | Low Temperature Physics Low Temperature Physics, 2019, 45 (6), pp.634-638. ⟨10.1063/1.5103256⟩ Low Temperature Physics, American Institute of Physics, 2019, 45 (6), pp.634-638. ⟨10.1063/1.5103256⟩ |
| ISSN: | 1063-777X |
| DOI: | 10.1063/1.5103256⟩ |
| Popis: | A HElium Nanodroplet Isolation (HENDI) experiment was performed to explore the absorption spectrum of the propyne-water complex ( C H 3 CCH ⋯ H 2 O ). Two spectral regions were investigated, near the CH stretch v1 of the propyne moiety and near the asymmetric stretch v3 of the water moiety. Ab-initio calculations were performed at the MP2/aug-cc-pVTZ level to estimate the spectroscopic constants of the free complex. This provided the necessary parameters to simulate the absorption spectrum of the complex and thus facilitate the interpretation of the experiment. The observed spectrum is consistent with a structure of the complex where two H-bonds between water and propyne form a five member ring. The later was predicted by Lopes et al. [J. Mol. Struct. 834, 258 (2007)].A HElium Nanodroplet Isolation (HENDI) experiment was performed to explore the absorption spectrum of the propyne-water complex ( C H 3 CCH ⋯ H 2 O ). Two spectral regions were investigated, near the CH stretch v1 of the propyne moiety and near the asymmetric stretch v3 of the water moiety. Ab-initio calculations were performed at the MP2/aug-cc-pVTZ level to estimate the spectroscopic constants of the free complex. This provided the necessary parameters to simulate the absorption spectrum of the complex and thus facilitate the interpretation of the experiment. The observed spectrum is consistent with a structure of the complex where two H-bonds between water and propyne form a five member ring. The later was predicted by Lopes et al. [J. Mol. Struct. 834, 258 (2007)]. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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