Skip to main content
SpringerLink
Log in
Book cover

International Conference on Computational Science and Its Applications

ICCSA 2012: Computational Science and Its Applications – ICCSA 2012 pp 316–330Cite as

Theoretical and Experimental Study of the Energy and Structure of Fragment Ions Produced by Double Photoionization of Benzene Molecules

  • Conference paper

Part of the book series: Lecture Notes in Computer Science ((LNTCS,volume 7333))

Abstract

Theoretical calculations of the energy and structure of dissociation product ions have been performed to provide detailed information about the dynamics of the charge separation reactions following the photoionization event of benzene molecules. The calculations are in agreement with the experimental results obtained in a study where a time-of-flight mass spectrometer with a position sensitive ion detector has been used in the dissociative double ionization of benzene by UV synchrotron radiation.

This is a preview of subscription content, log in via an institution.

Chapter
USD   29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD   39.99
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD   54.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Learn about institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. Pauling, L.: J. Chem. Phys. 1, 56 (1933)

    Google Scholar 

  2. Cox, S.G., Critchley, A.D.J., Kreynin, P.S., McNab, I.R., Shiellx, R.C., Smith, F.E.: Phys. Chem. Chem. Phys. 5, 663 (2003)

    Google Scholar 

  3. Moix-Teixidor, M., Pirani, F., Candori, P., Falcinelli, S., Vecchiocattivi, F.: Chem. Phys. Lett. 379, 139 (2003)

    Google Scholar 

  4. Candori, P., Falcinelli, S., Pirani, F., Tarantelli, F., Vecchiocattivi, F.: Chem. Phys. Lett. 436, 322 (2007)

    Google Scholar 

  5. Alagia, M., Brunetti, B.G., Candori, P., Falcinelli, S., Moix-Teixidor, M., Pirani, F., Richter, R., Stranges, S., Vecchiocattivi, F.: J. Chem. Phys. 120, 6985 (2004)

    Google Scholar 

  6. Prasad, S.S., Furman, D.R.: J. Geophys. Res. 80, 1360 (1975)

    Google Scholar 

  7. Rosner, S.D., Cameron, R., Scholl, T.J., Holt, R.A.: J. Mol. Spectrosc. 189, 83 (1998)

    Google Scholar 

  8. Alagia, M., Biondini, F., Brunetti, B.G., Candori, P., Falcinelli, S., Moix-Teixidor, M., Pirani, F., Richter, R., Stranges, S., Vecchiocattivi, F.: J. Chem. Phys. 121, 10508 (2004)

    Google Scholar 

  9. Alagia, M., Boustimi, M., Brunetti, B.G., Candori, P., Falcinelli, S., Richter, R., Stranges, S., Vecchiocattivi, F.: J. Chem. Phys. 117, 1098 (2002)

    Google Scholar 

  10. Alagia, M., Brunetti, B.G., Candori, P., Falcinelli, S., Moix-Teixidor, M., Pirani, F., Richter, R., Stranges, S., Vecchiocattivi, F.: J. Chem. Phys. 120, 6980 (2004)

    Google Scholar 

  11. Alagia, M., Brunetti, B.G., Candori, P., Falcinelli, S., Moix Teixidor, M., Pirani, F., Richter, R., Stranges, S., Vecchiocattivi, F.: J. Chem. Phys. 124, 204318 (2006)

    Google Scholar 

  12. Alagia, M., Candori, P., Falcinelli, S., Lavollée, M., Pirani, F., Richter, R., Stranges, S., Vecchiocattivi, F.: Chem. Phys. Lett. 432, 398 (2006)

    Google Scholar 

  13. Alagia, M., Candori, P., Falcinelli, S., Lavollée, M., Pirani, F., Richter, R., Stranges, S., Vecchiocattivi, F.: J. Chem. Phys. 126, 201101 (2007)

    Google Scholar 

  14. Alagia, M., Candori, P., Falcinelli, S., Lavollée, M., Pirani, F., Richter, R., Stranges, S., Vecchiocattivi, F.: J. Phys. Chem. A 113, 14755 (2009)

    Google Scholar 

  15. Alagia, M., Candori, P., Falcinelli, S., Lavolleé, M., Pirani, F., Richter, R., Stranges, S., Vecchiocattivi, F.: Phys. Chem. Chem. Phys. 12, 5389 (2010)

    Google Scholar 

  16. Alagia, M., Candori, P., Falcinelli, S., Pirani, F., Pedrosa Mundim, M.S., Richter, R., Rosi, M., Stranges, S., Vecchiocattivi, F.: Phys. Chem. Chem. Phys. 13, 8245 (2011)

    Google Scholar 

  17. Richardson, P.J., Eland, J.H.D., Lablanquie, P.: Org. Mass Spectrom. 21, 289 (1986)

    Google Scholar 

  18. Holland, D.M.P., Shaw, D.A., Sumner, I., Bowler, M.A., Mackie, R.A., Shpinkova, L.G., Cooper, L., Rennie, E.E., Parker, J.E., Johnson, C.A.F.: Int. J. Mass Spectrom. 220, 31 (2002)

    Google Scholar 

  19. Field, T.A., Eland, J.H.D.: Chem. Phys. Lett. 211, 436 (1993)

    Google Scholar 

  20. Alagia, M., Candori, P., Falcinelli, S., Mundim, K.C., Mundim, M.S.P., Pirani, F., Richter, R., Stranges, S., Vecchiocattivi, F.: Chem. Phys. (2011), doi:10.1016/j.chemphys, 03.031

    Google Scholar 

  21. Lavollée, M.: Rev. Sci. Instrum. 70, 2968 (1999)

    Google Scholar 

  22. Hsieh, S., Eland, J.H.D.: J. Phys. B: At. Mol. Opt. Phys. 30, 4515 (1997)

    Google Scholar 

  23. Slattery, A.E., Field, T.A., Ahmad, M., Hall, R.I., Lambourne, J., Penent, F., Lablanquie, P., Eland, J.H.D.: J. Chem. Phys. 122, 084317 (2005)

    Google Scholar 

  24. Wannier, G.H.: Phys. Rev. 90, 817 (1953)

    Google Scholar 

  25. Eckhardt, B., Sacha, K.: Europhys. Lett. 56, 651 (2001)

    Google Scholar 

  26. Denifl, S., Candori, P., Ptasinska, S., Limão-Vieira, P., Grill, V., Märk, T.D., Scheier, P.: Eur. Phys. J. D 35, 391–398 (2005)

    Google Scholar 

  27. Becke, A.D.: J. Phys. Chem. 98, 5648 (1993); Stephens, P.J., Devlin, F.J., Chablowski, C.F., Frisch, M.J.: J. Phys. Chem. 98, 11623 (1994)

    Google Scholar 

  28. Bartlett, R.J.: Annu. Rev. Phys. Chem. 32, 359 (1981); Raghavachari, K., Trucks, G.W., Pople, J.A., Head-Gordon, M.: Chem. Phys. Lett. 157, 479 (1989); Olsen, J., Jorgensen, P., Koch, H., Balkova, A., Bartlett, R.J.: J. Chem. Phys. 104, 8007 (1996)

    Google Scholar 

  29. Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Montgomery Jr., J.A., Vreven, T., Kudin, K.N., Burant, J.C., Millam, J.M., Iyengarms, S.S., Tomasi, J., Barone, V., Mennucci, B., Cossi, M., Scalmani, G., Rega, N., Petersson, G.A., Nakatsuji, H., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Klene, M., Li, X., Knox, J.E., Hratchian, H.P., Cross, J.B., Bakken, V., Adamo, C., Jaramillo, J., Gomperts, R., Stratmann, R.E., Yazyev, O., Austin, A.J., Cammi, R., Pomelli, C., Ochterski, J.W., Ayala, P.Y., Morokuma, K., Voth, G.A., Salvador, P., Dannenberg, J.J., Zakrzewski, V.G., Dapprich, S., Daniels, A.D., Strain, M.C., Farkas, O., Malick, D.K., Rabuck, A.D., Raghavachari, K., Foresman, J.B., Ortiz, J.V., Cui, Q., Baboul, A.G., Clifford, S., Cioslowski, J., Stefanov, B.B., Liu, G., Liashenko, A., Piskorz, P., Komaromi, I., Martin, R.L., Fox, D.J., Keith, T., Al-Laham, M., Peng, C.Y., Nanayakkara, A., Challacombe, M., Gill, P.M.W., Johnson, B., Chen, W., Wong, M.W., Gonzalez, C., Pople, J.A.: Gaussian 03, Revision D.01, Gaussian, Inc., Wallingford, CT (2004)

    Google Scholar 

  30. Flükiger, P., Lüthi, H.P., Portmann, S., Weber, J.: Molekel, 4.3, Swiss Center for Scientific Computing, Manno (Switzerland) (2000-2002); Portmann, S., Lüthi, H.P.: Chimia 54, 766 (2000)

    Google Scholar 

  31. Tarantelli, F., Sgamellotti, A., Cederbaum, L.S., Schirmer, J.: J. Chem. Phys.  86, 2201 (1987)

    Article  Google Scholar 

  32. Rosi, M., Bauschlicher Jr., C.W., Bakes, E.L.O.: Astrophys. J. 609, 1192 (2004)

    Article  Google Scholar 

  33. Eland, J.H.D.: Chem. Phys. 345, 82 (2008)

    Article  Google Scholar 

  34. Anand, S., Schlegel, H.B.: J. Phys. Chem. A 109, 11551 (2005)

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Department of Civil and Environmental Engineering, University of Perugia, Via Duranti 93, 06125, Perugia, Italy

    Marzio Rosi, Pietro Candori, Stefano Falcinelli & Franco Vecchiocattivi

  2. ISTM-CNR, University of Perugia, Via elce di sotto 8, 06123, Perugia, Italy

    Marzio Rosi

  3. Instituto de Fisica, Universidade Federal da Bahia, 40000, Salvador, Brasil

    Maria Suelly Pedrosa Mundim

  4. Department of Chemistry, University of Perugia, Via Elce di Sotto, 8, 06123, Perugia, Italy

    Fernando Pirani

Authors
  1. Marzio Rosi
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Pietro Candori
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Stefano Falcinelli
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. Maria Suelly Pedrosa Mundim
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. Fernando Pirani
    View author publications

    You can also search for this author in PubMed Google Scholar

  6. Franco Vecchiocattivi
    View author publications

    You can also search for this author in PubMed Google Scholar

Editor information

Editors and Affiliations

  1. Laboratory of Urban and Territorial Systems, University of Basilicata, 10, Viale dell’Ateneo Lucano, 85100, Potenza, Italy

    Beniamino Murgante

  2. Department of Mathematics and Computer Science, University of Perugia, Via Vanvitelli 1, 06123, Perugia, Italy

    Osvaldo Gervasi

  3. Department of Cyber Security Science, Federal University of Technology, Gidan Kwano Campus, Minna, Nigeria

    Sanjay Misra

  4. Faculty of Engineering, Department of Electronics Engineering and Telecommunications, State University of Rio de Janeiro, Rua Sao Francisco Xavier, 524, 50. andar, sala 5145-F, Maracana, 20, 550-013, Rio de Janeiro, RJ, Brazil

    Nadia Nedjah

  5. Department of Production and Systems, University of Minho, Campus de Gualtar, 4710-057, Braga, Portugal

    Ana Maria A. C. Rocha

  6. School of Business Systems, Monash University, 3800, Clayton, VIC, Australia

    David Taniar

  7. Department of Intelligent Informatics, Kyushu Sangyo University, 2-3-1 Matsukadai, Higashi-ku, 813-8503, Fukuoka, Japan

    Bernady O. Apduhan

Rights and permissions

Reprints and permissions

Copyright information

© 2012 Springer-Verlag Berlin Heidelberg

About this paper

Cite this paper

Rosi, M., Candori, P., Falcinelli, S., Mundim, M.S.P., Pirani, F., Vecchiocattivi, F. (2012). Theoretical and Experimental Study of the Energy and Structure of Fragment Ions Produced by Double Photoionization of Benzene Molecules. In: Murgante, B., et al. Computational Science and Its Applications – ICCSA 2012. ICCSA 2012. Lecture Notes in Computer Science, vol 7333. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-31125-3_25

Download citation

  • DOI: https://doi.org/10.1007/978-3-642-31125-3_25

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-31124-6

  • Online ISBN: 978-3-642-31125-3

  • eBook Packages: Computer ScienceComputer Science (R0)

Publish with us

Policies and ethics

Search

Navigation