Gas phase experimental and computational investigations are described for F--H2 and the halide-methane complexes and clusters, F--(CH4)n and Cl--(CH4)n. Vibrational predissociation spectroscopy in conjunction with tandem mass spectrometry are used to obtain mid-infrared spectra of each complex in the ligand’s hydrogen stretch region. Ab initio calculations are used to predict structures, binding energies and vibrational frequencies and intensities. By examining the changes in both the vibrational frequencies and intensities of the neutral moiety upon complexation with the anion, and comparing these with the theoretical predictions, structures are able to be inferred. (For complete abstract open document)
| Identifer | oai:union.ndltd.org:ADTP/245507 |
| Creators | Loh, Zöe Miranda |
| Source Sets | Australiasian Digital Theses Program |
| Language | English |
| Detected Language | English |
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