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Electron interactions with Bis(pentamethylcyclopentadienyl) titanium(IV) dichloride and difluoride

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Abstract

We present a combined experimental and theoretical study of the interaction of electrons with Bis(pentamethylcyclopentadienyl)titanium(IV) dichloride (Cp2*TiCl2) and difluoride (Cp2*TiF2). We report the experimental measurements of partial cross sections for the dissociative electron attachment (DEA) and the electron ionization (EI) mass spectra of isolated molecules. Estimates of the absolute cross sections are done on the basis of cross-calibration in the case of DEA and on the basis of binary-encounter-Bethe calculation in the case of EI. EI of both molecules is similar, concerning cross section amplitude and fragmentation pattern. DEA is different: DEA to Cp2*TiF2 primarily results in the formation of stable parent anion, while DEA to Cp2*TiCl2 results in the strong fragmentation, primarily into Cl− anion. Possible use of the molecules as the model species for studies of DEA efficiency in postirradiation chemistry is discussed.

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References

  1. G.G. Gomez-Tejedor, M.C. Fuss, Radiation damage in biomolecular systems (Springer, Netherlands, 2012)

  2. I. Baccarelli, I. Bald, F.A. Gianturco, E. Illenberger, J. Kopyra, Phys. Rep. 508, 1 (2011)

    Article  ADS  Google Scholar 

  3. E. Alizadeh, T.M. Orlando, L. Sanche, Ann. Rev. Phys. Chem. 66, 379 (2015)

    Article  ADS  Google Scholar 

  4. J. Rackwitz, J. Kopyra, I. Dąbkowska, K. Ebel, M.L. Ranković, A.R. Milosavljević, I. Bald, Angew. Chem. 128, 10404 (2016)

    Article  Google Scholar 

  5. I.I. Fabrikant, S. Eden, N.J. Mason, J. Fedor, Adv. Atom. Mol. Opt. Phys. 66, 545 (2017)

    Article  Google Scholar 

  6. J. Kopyra, C. Koenig-Lehmann, I. Bald, E. Illenberger, Angew. Chem. Int. Ed. 48, 7904 (2009)

    Article  Google Scholar 

  7. Q.B. Lu, S. Kalantari, C.R. Wang, Mol. Pharm. 4, 624 (2007)

    Article  Google Scholar 

  8. F. Xiao, X. Luo, X. Fu, Y. Zheng, J. Phys. Chem. B 117, 4893 (2013)

    Article  Google Scholar 

  9. M. Rezaee, E. Alizadeh, P. Cloutier, D.J. Hunting, L. Sanche, Chem. Med. Chem. 9, 1145 (2014)

    Article  Google Scholar 

  10. E. Alizadeh, L. Sanche, Eur. Phys. J. D 68, 97 (2014)

    Article  ADS  Google Scholar 

  11. K. Tanzer, A. Pelc, S. Huber, M. Śmiałek, P. Scheier, M. Probst, S. Denifl, Int. J. Mass Spectrom. 365–366, 152 (2014)

    Article  Google Scholar 

  12. J. Kuduk-Jaworska, J.J. Jański, S. Roszak, J. Inorg. Biochem. 170, 148 (2017)

    Article  Google Scholar 

  13. M.J. Frisch et al., Gaussian09 revision E.01 (Gaussian Inc., Wallingford, CT, 2009)

  14. H. Köpf, P. Köpf-Maier, Angew. Chem. Int. Ed. Engl. 18, 477 (1979)

    Article  Google Scholar 

  15. P. Köpf-Maier, A. Moormann, H. Köpf, Eur. J. Cancer Clin. Oncol. 21, 853 (1985)

    Article  Google Scholar 

  16. G. Lümmen, H. Sperling, H. Luboldt, T. Otto, H. Rübben, Cancer Chemother. Pharmacol. 42, 415 (1998)

    Article  Google Scholar 

  17. N. Kröger, U.R. Kleeberg, K. Mross, L. Edler, D.K. Hossfeld, Onkologie 23, 60 (2000)

    Google Scholar 

  18. H. Sun, H. Li, R.A. Weir, P.J. Sadler, Angew. Chem. Int. Ed. 37, 1577 (1998)

    Article  Google Scholar 

  19. M. Cini, T.D. Bradshaw, S. Woodward, Chem. Soc. Rev. 46, 1040 (2017)

    Article  Google Scholar 

  20. G. Gasser, I. Ott, N. Metzler-Nolte, J. Med. Chem. 54, 3 (2011)

    Article  Google Scholar 

  21. M.J. Clarke, F. Zhu, D.R. Frasca, Chem. Rev. 99, 2511 (1999)

    Article  Google Scholar 

  22. J.H. Murray, M.M. Harding, J. Med. Chem. 37, 1936 (1994)

    Article  Google Scholar 

  23. P. Yang, M. Guo, Coord. Chem. Rev. 185–186, 189 (1999)

    Article  Google Scholar 

  24. P. Köpf-Maier, H. Köpf, Struct. Bond. 70, 103 (1988)

    Article  Google Scholar 

  25. I. Kostova, in Frontiers in anti-cancer drug discovery, edited by A.U. Rahman, I. Choudhary (Springer, Dordrecht, Netherlands, 2010), pp. 298–339

  26. S. Eger, T.A. Immel, J. Claffey, H. Müller-Bunz, M. Tacke, U. Groth, T. Huhn, Inorg. Chem. 49, 1292 (2010)

    Article  Google Scholar 

  27. L. Koubková, R. Vyzula, J. Karban, J. Pinkas, E. Ondroušková, B. Vojtešek, R. Hrstka, Invest. New Drugs 33, 1123 (2015)

    Article  Google Scholar 

  28. G. Mokdsi, M.M. Harding, J. Organomet. Chem. 565, 29 (1998)

    Article  Google Scholar 

  29. I. Utke, P. Hoffmann, J. Melngailis, J. Vac. Sci. Technol.26, 1197 (2008)

    Article  Google Scholar 

  30. S. Engmann, M. Stano, P. Papp, M.J. Brunger, Š. Matejčík, O. Ingólfsson, J. Chem. Phys. 138, 044305 (2013)

    Article  ADS  Google Scholar 

  31. S. Engmann, M. Stano, Š. Matejčík, O. Ingólfsson, Angew. Chem. Int. Ed. 50, 9213 (2011)

    Article  Google Scholar 

  32. P. Kumar, S. Hari, O. Ingolfsson, C.W. Hagen, Beilstein J. Nanotechnol. 8, 2376 (2017)

    Article  Google Scholar 

  33. J. Kočišek, J. Lengyel, M. Fárník, J. Chem. Phys. 138, 124306 (2013)

    Article  ADS  Google Scholar 

  34. M. Zawadzki, Eur. Phys. J. D 72, 12 (2018)

    Article  ADS  Google Scholar 

  35. R. Janečková, D. Kubala, O. May, J. Fedor, M. Allan, Phys. Rev. Lett. 111, 213201 (2013)

    Article  ADS  Google Scholar 

  36. Y.K. Kim, M.E. Rudd, Phys. Rev. A 50, 3954 (1994)

    Article  ADS  Google Scholar 

  37. W. Hwang, Y. Kim, M.E. Rudd, J. Chem. Phys. 104, 2956 (1996)

    Article  ADS  Google Scholar 

  38. M.A. Ali, Y.K. Kim, W. Hwang, N.M. Weinberger, M.E. Rudd, J. Chem. Phys. 106, 9602 (1997)

    Article  ADS  Google Scholar 

  39. Y. Yang, M.N. Weaver, K.M. Merz, J. Phys. Chem. A 113, 9843 (2009)

    Article  Google Scholar 

  40. R. Rejoub, B.G. Lindsay, R.F. Stebbings, Phys. Rev. A 65, 042713 (2002)

    Article  ADS  Google Scholar 

  41. J.A. Beran, L. Kevan, J. Phys. Chem. 73, 3866 (1969)

    Article  Google Scholar 

  42. B.D. Darwent, in Bond dissociation energies in simple molecules (NIST, Gaithersburg, MD, USA, 1970)

  43. C. Blondel, C. Delsart, F. Goldfarb, J. Phys. B: Atom. Mol. Opt. Phys. 34, L281 (2001)

    Article  ADS  Google Scholar 

  44. J.D.D. Martin, J.W. Hepburn, J. Chem. Phys. 109, 8139 (1998)

    Article  ADS  Google Scholar 

  45. L. Christophorou, J. Olthoff, J. Phys. Chem. Ref. Data 29, 267 (2000)

    Article  ADS  Google Scholar 

  46. A. Chachereau, J. Fedor, R. Janečková, J. Kočišek, M. Rabie, C.M. Franck, J. Phys. D: Appl. Phys. 49, 375201 (2016)

    Article  Google Scholar 

  47. M. Rezaee, L. Sanche, D.J. Hunting, Radiat. Res. 179, 323 (2013)

    Article  ADS  Google Scholar 

  48. D. Reimitz, M. Davídková, O. Mestek, J. Pinkas, J. Kočišek, Radiat. Phys. Chem. 141, 229 (2017)

    Article  ADS  Google Scholar 

  49. Y. Dong, Y. Chen, L. Zhou, Y. Shao, X. Fu, Y. Zheng, Int. J. Radiat. Biol. 93, 1274 (2017)

    Article  Google Scholar 

  50. M.A. Śmiałek, S. Ptasińska, J. Gow, S.V. Hoffmann, N.J. Mason, Eur. Phys. J. D 69, 121 (2015)

    Article  ADS  Google Scholar 

  51. R. Schürmann, K. Tanzer, I. Da̧bkowska, S. Denifl, I. Bald, J. Phys. Chem. B 121, 5730 (2017)

    Article  Google Scholar 

  52. R. Schürmann, T. Tsering, K. Tanzer, S. Denifl, S.V.K. Kumar, I. Bald, Angew. Chem. Int. Ed. 56, 10952 (2017)

    Article  Google Scholar 

  53. Q. Bao, Y. Chen, Y. Zheng, L. Sanche, J. Phys. Chem. C 118, 15516 (2014)

    Article  Google Scholar 

  54. O. Vrána, V. Brabec, Int. J. Radiat. Biol. Relat. Stud. Phys. Chem. Med. 50, 995 (1986)

    Article  Google Scholar 

  55. J. Kočišek, A. Pysanenko, M. Fárník, J. Fedor, J. Phys. Chem. Lett. 7, 3401 (2016)

    Article  Google Scholar 

  56. J. Poštulka, P. Slavíček, J. Fedor, M. Fárník, J. Kočišek, J. Phys. Chem. B 121, 8965 (2017)

    Article  Google Scholar 

  57. J. Lengyel, J. Kočišek, M. Fárník, J. Fedor, J. Phys. Chem. C 120, 7397 (2016)

    Article  Google Scholar 

  58. J. Lengyel, P. Papp, Š. Matejčík, J. Kočišek, M. Fárník, J. Fedor, Beilstein J. Nanotechnol. 8, 2200 (2017)

    Article  Google Scholar 

  59. J. Lengyel, J. Fedor, M. Fárník, J. Phys. Chem. C 120, 17810 (2016)

    Article  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Department of Chemistry, University of Konstanz, Universittsstrasse 10, 78457, Konstanz, Germany

    Jakob Langer

  2. Department of Atomic, Molecular, and Optical Physics, Faculty of Applied Physics and Mathematics, Gdańsk University of Technology, ul. G. Narutowicza 11/12, 80-233, Gdańsk, Poland

    Mateusz Zawadzki

  3. J. Heyrovský Institute of Physical Chemistry of the Czech Academy of Sciences, Dolejškova 3, 18223, Prague, Czech Republic

    Mateusz Zawadzki, Michal Fárník, Jiří Pinkas, Juraj Fedor & Jaroslav Kočišek

Authors
  1. Jakob Langer
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  2. Mateusz Zawadzki
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  3. Michal Fárník
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  6. Jaroslav Kočišek
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Correspondence to Jaroslav Kočišek.

Additional information

Contribution to the Topical Issue “Atomic Cluster Collisions”, edited by Alexey Verkhovtsev, Andrey V. Solov’yov, Germán Rojas-Lorenzo, and Jesús Rubayo Soneira.

Supplementary material in the form of one pdf file available from the Journal web page at https://doi.org/10.1140/epjd/e2018-80794-6 .

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Langer, J., Zawadzki, M., Fárník, M. et al. Electron interactions with Bis(pentamethylcyclopentadienyl) titanium(IV) dichloride and difluoride. Eur. Phys. J. D 72, 112 (2018). https://doi.org/10.1140/epjd/e2018-80794-6

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  • DOI: https://doi.org/10.1140/epjd/e2018-80794-6

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