Infrared spectroscopy of C3–(H2O)n and C3–(D2O)n complexes in helium droplets
| Autor: | William K Lewis, Barbara A. Harruff-Miller, Scott A Tursic, Amanda M Arts |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
Astrochemistry
Materials science 010304 chemical physics Matrix isolation Ab initio General Physics and Astronomy Infrared spectroscopy Rotational–vibrational spectroscopy 010402 general chemistry 01 natural sciences Spectral line 0104 chemical sciences Chemical physics 0103 physical sciences Cluster (physics) Molecule Physical and Theoretical Chemistry |
| Zdroj: | The Journal of Chemical Physics. 150:124307 |
| ISSN: | 1089-7690 0021-9606 |
| DOI: | 10.1063/1.5067394 |
| Popis: | The C3 molecule is an important species with implications in combustion and astrochemistry, and much of the interest in this molecule is related to its interactions with other species found in these environments. We have utilized helium droplet beam techniques along with a recently developed carbon cluster evaporation source to assemble C3-(H2O)n and C3-(D2O)n complexes with n = 1-2 and to record their rovibrational spectra. We observe only a single isomer of the n = 1 complex, in agreement with theoretical predictions as well as data from earlier matrix isolation studies. The spectra of the n = 1 complex are consistent with the ab initio structure, which involves a nearly linear arrangement of CCC-HO atoms in the complex. The C3-H2O spectrum we obtain exhibits slight differences from the analogous C3-D2O spectrum, which we assign to a difference in linewidth between the two spectra. We have also examined the n = 2 species and obtained a structure that appears to be distinct from those observed in matrix isolation studies and, to our knowledge, has not been previously observed. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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