Anion photoelectron spectra and ab initio calculations of the iodide-carbon monoxide clusters: I(-)···(CO)(n), n = 1-4
| Autor: | Duncan A. Wild, Robert J. LaMacchia, Allan J. McKinley, Kim M. Lapere, Stephen G. Dale, Marcus Kettner, Lin Hian Quak |
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| Rok vydání: | 2012 |
| Předmět: |
chemistry.chemical_classification
Chemistry Dimer Iodide Monoxide Spectral line Ion chemistry.chemical_compound symbols.namesake Computational chemistry Ab initio quantum chemistry methods Physics::Atomic and Molecular Clusters symbols Physical chemistry Physics::Atomic Physics Physics::Chemical Physics Physical and Theoretical Chemistry van der Waals force Carbon monoxide |
| Zdroj: | The journal of physical chemistry. A. 116(14) |
| ISSN: | 1520-5215 |
| Popis: | Anion photoelectron spectra are reported for the iodide-carbon monoxide clusters, with supporting ab initio calculations for the 1:1 dimer anion and neutral complexes. A C(s) minimum geometry is predicted for the anion complex, while for the neutral complex two linear van der Waals minima are predicted differing in the attachment point of the iodine, that is, I···CO and I···OC. The predicted adiabatic photodetachment energy agrees well with the experimental spectrum. The photoelectron spectra feature a vibrational progression in the CO stretching mode, which becomes more pronounced for the larger clusters. |
| Databáze: | OpenAIRE |
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