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Forming metastable carbon-rich anions in planetary atmospheres: the case of diacetylene

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Abstract

The quantum dynamics of free electrons interacting with diacetylene molecules (HCCCCH) under the conditions observed in planetary atmospheres (like those of Titan and Uranus) is analyzed using two different ab initio interaction and multichannel scattering methods as described in the main text. The locations of π ∗ and σ ∗ resonances, and their spatial features, are obtained with the clear presence of a low-energy (~2 eV) resonant state of π* u symmetry being established with both computational methods. The consequences of such findings with respect to the interstellar medium (ISM) observations are discussed and further model studies for dissociative anionic stabilization paths are suggested.

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References

  1. P. Thaddeus, C.A. Gottlieb, H. Gupta, S. Brunken, M.C. McCarthy, M. Agundez, M. Guelin, J. Cernicharo, Astrophys. J. 677, 1132 (2008)

    Article  ADS  Google Scholar 

  2. H.C. Gupta, S. Brunken, F. Tamassia, C.A. Gottlieb, M.C. McCarthy, P. Thaddeus, Astrophys. J. 655, L57 (2007)

    Article  ADS  Google Scholar 

  3. M.C. McCarthy, C.A. Gottlieb, H.C. Gupta, P. Thaddeus, Astrophys. J. 652, L141 (2006)

    Article  ADS  Google Scholar 

  4. K. Graupner, T.L. Merrigan, T.A. Field, T.G.A. Youngs, P.C. Marr, New J. Phys. 8, 117 (2006)

    Article  ADS  Google Scholar 

  5. E. Herbst, Nature 289, 656 (1981)

    Article  ADS  Google Scholar 

  6. A.G.G.M. Tielens, The Physics and Chemistry of the Interstellar Medium (Cambridge University Press, Cambridge, 2005)

  7. E. Herbst, Y. Osamura, Astrophys. J. 679, 1670 (2008)

    Article  ADS  Google Scholar 

  8. F. Carelli, F. Sebastianelli, I. Baccarelli, F.A. Gianturco, Astrophys. J. 712, 445 (2010)

    Article  ADS  Google Scholar 

  9. F. Sebastianelli, F.A. Gianturco, Eur. Phys. J. D 59, 389 (2010)

    Article  ADS  Google Scholar 

  10. D.E. Shemansky, A.I.F. Stewart, R.A. West, L.W. Esposito, J.T. Hallett, X. Liu, Science 308, 978 (2005)

    Article  ADS  Google Scholar 

  11. O. May, J. Fedor, B.C. Ibănescu, M. Allan, Phys. Rev. A 77, 040701 (2008)

    Article  ADS  Google Scholar 

  12. M. Allan, O. May, J. Fedor, B.C. Ibănescu, Phys. Rev. A 83, 052701 (2011)

    Article  ADS  Google Scholar 

  13. A. D’Anna, M. Alfe, A. Apicella, A. Tregrossi, A. Ciajolo, Energy Fuels 21, 2655 (2007)

    Article  Google Scholar 

  14. M. Allan, Chem. Phys. 86, 303 (1984)

    Article  ADS  Google Scholar 

  15. R.R. Lucchese, F.A. Gianturco, Int. Rev. Phys. Chem. 15, 429 (1996)

    Article  Google Scholar 

  16. F.A. Gianturco, R.R. Lucchese, J. Phys. B 29, 3955 (1996)

    Article  ADS  Google Scholar 

  17. C. Lee, W. Yang, R.G. Parr, Phys. Rev. B 37, 785 (1998)

    Article  ADS  Google Scholar 

  18. S.J. Hara, J. Phys. Soc. Jpn 22, 710 (1967)

    Article  ADS  Google Scholar 

  19. F.A. Gianturco, R.R. Lucchese, J. Chem. Phys. 111, 6769 (1999)

    Article  ADS  Google Scholar 

  20. J.R. Taylor, Scattering Theory (Wiley, New York, 1972)

  21. F.T. Smith, Phys. Rev. 118, 349 (1960)

    Article  MathSciNet  ADS  MATH  Google Scholar 

  22. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian 03, Revision C.02 (Gaussian, Inc., Wallingford, 2004)

  23. J. Tennyson, Phys. Rep. 491, 29 (2010)

    Article  ADS  Google Scholar 

  24. B.M. Nestmann, S.V.K. Kumar, S.D. Peyerimhoff, Phys. Rev. A 71, 012705 (2005)

    Article  ADS  Google Scholar 

  25. F. Vila, P. Borowski, K.D. Jordan, J. Phys. Chem. A 104, 9009 (2000)

    Article  Google Scholar 

  26. K. Graupner, T.A. Field, G.C. Saunders, Astrophys. J. 685, L95 (2008)

    Article  ADS  Google Scholar 

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Authors and Affiliations

  1. Department of Chemistry and CISM, The University of Rome ‘Sapienza’, P.le Aldo Moro 5, 00185, Rome, Italy

    Isabella Baccarelli, Francesco Sebastianelli & Franco A. Gianturco

  2. CASPUR Supercomputing Consortium, Via dei Tizii 6, 00185, Rome, Italy

    Isabella Baccarelli

  3. Department of Theoretical Chemistry, University of Bonn, 53121, Bonn, Germany

    Bernd M. Nestmann

Authors
  1. Isabella Baccarelli
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  2. Francesco Sebastianelli
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  3. Bernd M. Nestmann
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  4. Franco A. Gianturco
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Correspondence to Franco A. Gianturco.

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Baccarelli, I., Sebastianelli, F., Nestmann, B. et al. Forming metastable carbon-rich anions in planetary atmospheres: the case of diacetylene. Eur. Phys. J. D 67, 93 (2013). https://doi.org/10.1140/epjd/e2013-30741-2

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  • DOI: https://doi.org/10.1140/epjd/e2013-30741-2

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