Computational spectroscopy of helium-solvated molecules: Effective inertia, from small He clusters toward the nanodroplet regime
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چکیده
منابع مشابه
First overtone helium nanodroplet isolation spectroscopy of molecules bearing the acetylenic CH chromophore
High-resolution helium nanodroplet isolation spectra of the first overtone ~2n1) of the acetylenic stretch of several substituted acetylenes ~RC[C–H! at T50.38 K, have been observed for the first time. A tunable 1.5 mm laser is coupled, using a power buildup cavity, to a beam of He droplets seeded with the molecule to be studied. Absorption spectra are recorded by monitoring the beam depletion ...
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Photoelectron spectra of (HF)(3)(-) reveal coexistence of two anionic isomers with vertical electron detachment energies (VDE) of 0.24 and 0.43 eV. The results of electronic-structure calculations, performed at the coupled cluster level of theory with single, double, and noniterative triple excitations, suggest that the two isomers observed experimentally are an open, zigzag, dipole-bound anion...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2005
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.2032969