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Journal of Chemical Physics / Volume 125 / Issue 9 / ARTICLES / Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry

J. Chem. Phys. 125, 094307 (2006); http://dx.doi.org/10.1063/1.2347709 (7 pages)

Infrared spectra of HC2−∙(C2H2)n and O2−∙(C2H2)n clusters (n = 2–5)

Holger Schneider and J. Mathias Weber

Institut für Physikalische Chemie, Universität Karlsruhe, D-76128 Karlsruhe, Germany; JILA, University of Colorado and NIST, and Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309

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(Received 15 June 2006; accepted 8 August 2006; published online 5 September 2006)

We study the solvation of HC2− and O2− with acetylene ligands by means of midinfrared photodissociation spectroscopy in the CH stretching region, monitoring C2H2 evaporation upon infrared photon absorption by the parent cluster ions. Our findings are interpreted with the help of density functional theory. The infrared spectra indicate that while the binding generally occurs through ionic H bonds, there are two different classes of ligands which differ in their binding strength. This holds true for both core ions, even though their electronic structures and charge distributions are very different.

© 2006 American Institute of Physics

Article Outline

  1. INTRODUCTION
  2. EXPERIMENT
  3. CALCULATIONS
  4. RESULTS AND DISCUSSION
    1. HC2−∙(C2H2)n clusters
    2. O2−∙(C2H2)n clusters
    3. Trends in H-bonding behavior involving different core ions
  5. CONCLUSIONS

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KEYWORDS and PACS

Keywords

organic compounds, molecular clusters, infrared spectra, solvation, photodissociation, molecule-photon collisions, bonds (chemical), density functional theory, molecular electronic states

PACS

  • 36.40.Mr

    Spectroscopy and geometrical structure of clusters

  • 36.40.Jn

    Reactivity of clusters

  • 36.40.Wa

    Charged clusters

  • 33.15.Fm

    Bond strengths, dissociation energies

  • 33.20.Ea

    Infrared spectra

  • 33.80.Gj

    Diffuse spectra; predissociation, photodissociation

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.2347709

PUBLICATION DATA

ISSN

0021-9606 (print)  
1089-7690 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

For access to fully linked references, you need to log in.
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    H. Schneider, A. D. Boese, and J. M. Weber, J. Chem. Phys. 123, 074316 (2005)JCPSA6000123000007074316000001.

    J. M. Weber and H. Schneider, J. Chem. Phys. 120, 10056 (2004)JCPSA6000120000021010056000001.

    W. H. Robertson, J. A. Kelley, and M. A. Johnson, Rev. Sci. Instrum. 71, 4431 (2000)RSINAK000071000012004431000001.

    C. W. Stoermer, S. Gilb, J. Friedrich, D. Schooss, and M. M. Kappes, Rev. Sci. Instrum. 69, 1661 (1998)RSINAK000069000004001661000001.

    A. D. Becke, Phys. Rev. A 38, 3098 (1988).

    A. Schäfer, C. Huber, and R. Ahlrichs, J. Chem. Phys. 100, 5829 (1994)JCPSA6000100000008005829000001.

    H. Schneider, A. D. Boese, and J. M. Weber, J. Chem. Phys. 123, 084307 (2005)JCPSA6000123000008084307000001.

    Z. M. Loh, R. L. Wilson, D. A. Wild, E. J. Bieske, and A. Zehnacker, J. Chem. Phys. 119, 9559 (2003)JCPSA6000119000018009559000001.

    C. E. Klots, J. Chem. Phys. 83, 5854 (1985)JCPSA6000083000011005854000001.


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