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What Can C1s Photoe...
What Can C1s Photoelectron Spectroscopy Tell about Structure and Bonding in Clusters of Methanol and Methyl Chloride?
- Article/chapterEnglish2007
Publisher, publication year, extent ...
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2007-08-29
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American Chemical Society (ACS),2007
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printrdacarrier
Numbers
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LIBRIS-ID:oai:DiVA.org:uu-97064
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https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-97064URI
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https://doi.org/10.1021/jp0726236DOI
Supplementary language notes
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Language:English
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Summary in:English
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Subject category:ref swepub-contenttype
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Subject category:art swepub-publicationtype
Notes
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Single-component clusters of methanol and methyl chloride have been produced by adiabatic expansion, and their carbon Is photoelectron spectra were recorded using synchrotron radiation and a high-resolution electron analyzer. The experimental spectra are interpreted by means of theoretical models based on molecular dynamics simulations. The data are used to explore to what extent core-level photoelectron spectra may provide information on the bonding mechanism and the geometric structure of clusters of polar molecules. The results indicate that the cluster-to-monomer shift in ionization energy and also the width of the cluster peak may be used to distinguish between hydrogen bonding and weaker electrostatic interactions. Moreover, the larger width of the cluster peak in methanol clusters as compared to methyl chloride clusters is partly due to the structured surface of methanol clusters. Theoretical modeling greatly facilitates the analysis of core-level photoelectron spectra of molecular clusters.
Subject headings and genre
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Børve, K. J.
(author)
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Harnes, J.
(author)
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Bergersen, HenrikUppsala universitet,Institutionen för fysik och materialvetenskap
(author)
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Uppsala universitetInstitutionen för fysik och materialvetenskap
(creator_code:org_t)
Related titles
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In:Journal of Physical Chemistry A: American Chemical Society (ACS)111:37, s. 8903-89091089-56391520-5215
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