| Attaching molecular hydrogen to metal cations: perspectives from gas-phase infrared spectroscopy. | |
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MedLine Citation:
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PMID: 23034736 Owner: NLM Status: Publisher |
Abstract/OtherAbstract:
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In this perspective article we describe recent infrared spectroscopic investigations of mass-selected M(+)-H(2) and M(+)-D(2) complexes in the gas-phase, with targets that include Li(+)-H(2), B(+)-H(2), Na(+)-H(2), Mg(+)-H(2), Al(+)-H(2), Cr(+)-D(2), Mn(+)-H(2), Zn(+)-D(2) and Ag(+)-H(2). Interactions between molecular hydrogen and metal cations play a key role in several contexts, including in the storage of molecular hydrogen in zeolites, metal-organic frameworks, and doped carbon nanostructures. Arguably, the clearest view of the interaction between dihydrogen and a metal cation can be obtained by probing M(+)-H(2) complexes in the gas phase, free from the complicating influences of solvents or substrates. Infrared spectra of the complexes in the H-H and D-D stretch regions are obtained by monitoring M(+) photofragments as the excitation wavelength is scanned. The spectra, which feature full rotational resolution, confirm that the M(+)-H(2) complexes share a common T-shaped equilibrium structure, consisting essentially of a perturbed H(2) molecule attached to the metal cation, but that the structural and vibrational parameters vary over a considerable range, depending on the size and electronic structure of the metal cation. Correlations are established between intermolecular bond lengths, dissociation energies, and frequency shifts of the H-H stretch vibrational mode. Ultimately, the M(+)-H(2) and M(+)-D(2) infrared spectra provide a comprehensive set of benchmarks for modelling and understanding the M(+)H(2) interaction. |
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Authors:
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Viktoras Dryza; Berwyck L J Poad; Evan J Bieske |
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Publication Detail:
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Type: JOURNAL ARTICLE Date: 2012-10-4 |
Journal Detail:
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Title: Physical chemistry chemical physics : PCCP Volume: - ISSN: 1463-9084 ISO Abbreviation: Phys Chem Chem Phys Publication Date: 2012 Oct |
Date Detail:
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Created Date: 2012-10-4 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 100888160 Medline TA: Phys Chem Chem Phys Country: - |
Other Details:
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Languages: ENG Pagination: - Citation Subset: - |
Affiliation:
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School of Chemistry, University of Melbourne, Melbourne, 3010, Australia. evanjb@unimelb.edu.au. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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