Fragmentation reactions of Si2Cl6+ in the gas phase - A quantum-chemical and mass-spectrometric assessment

International Journal of Mass Spectrometry

Volumn 354-355, Issue , 2013, Pages 378-390

  Fink, Elie M L ^a   Schießer, Alexander ^b   Berger, Robert ^b,c   Holthausen, Max C ^a  

^a GOETHE UNIVERSITY   (Germany)

^b DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

^c FRANKFURT INSTITUTE FOR ADVANCED STUDIES   (Germany)

Author keywords

Ab initio calculations; Fragmentation channels; Hexachlorodisilane; Mass spectrometry; Reaction pathways

Indexed keywords

EID: 84888380961     PISSN: 13873806     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijms.2013.08.002     Document Type: Article

References (80)

1. W. Zulehner, and B.G. Neuer Rau in Ullmann's Encyclopedia of Industrial Chemistry 2000 Wiley-VCH Verlag GmbH & Co KGaA
2. J.V. Poortmans Arkhipov Thin Film Solar Cells: Fabrication, Characterization and Applications 2006 Chichester Wiley
3. W. Beyer, R. Carius, M. Lejeune, J. Müller, B. Rech, and U. Zastrow J. Non-Cryst. Solids 338-340 2004 147
4. C. Lee, D.B. Graves, and M.A. Lieberman Plasma Chem. Plasma Process. 16 1996 99
5. H. Jansen, H. Gardeniers, M. de Boer, M. Elwenspoek, and J. Fuitman J. Micromech. Microeng. 6 1996 14
6. A.K. Paul, A.K. Dimri, and R.P. Bajpai Vacuum 68 2003 191
7. S.J. Pearton, and D.R. Norton Plasma Proc. Polym. 2 2005 16
8. M. Sato, and Y. Arita J. Electrochem. Soc. 134 2007 2856
9. H.V. Jansen, M.J. de Boer, S. Unnikrishnan, M.C. Louwerse, and M.C. Elwenspoek J. Micromech. Microeng. 19 2009 033001
10. M. Kogelschatz, G. Cunge, and N. Sadghi J. Phys D: Appl. Phys. 37 2004 1954
11. N. Auner, C. Bauch, S. Holl, R. Deltschev, S.-J. Mohsseni-Ala, G. Lippold, T. Gebel, WO 067331 (2011).
12. M. Tanaka, S. Saida, Y. Tsunashima, US 0259386 (2004)
13. Y. Matsuo, K. Takemura, S. Sugimura, US 0070361 (2012).
14. S. Kirii, M. Narukawa, H. Takesue, US 0147798 (2003).
15. W. Knies, K. Bögershausen, H. Eiblmeier, US 0221169 (2010).
16. J. Kunert, C. Hofhansl, US 0107217 (2012).
17. A. Dip, S. Oh, J. Leith, WO 036593 (2005).
18. A. Leith, A. Dip, S. Oh, WO 078354 (2006).
19. K. Aono, T. Saito, C. Okada, US 4639361 (1987).
20. L. Luo, R.S. Iyer, J.A. Subramony, E.A.C. Sanchez, X. Jin, A. Chen, C. Yan, N. Tokai, Y. Maeda, R.P. Singh Thakur, US 6884464 (2005).
21. Y.S. Ezhov, E.P. Simonenko, and V.G. Sevastyanov Russ. J. Phys. Chem. A 83 2009 179
22. J. Heinicke, and B. Gehrhus J. Anal. Appl. Pyrol. 28 1994 81
23. J. Heinicke, D. Vorwerk, and G. Zimmermann J. Anal. Appl. Pyrol. 28 1994 93
24. M. Ernst, K. Schenzel, A. Jahn, W. Koll, and K. Hassler J. Raman Spectrosc. 28 1997 589
25. N. Goldberg, M.J. Almond, J.S. Ogden, J.P. Cannady, R. Walsh, and R. Becerra Phys. Chem. Chem. Phys. 6 2004 3264
26. N. Goldberg, J.S. Ogden, M.J. Almond, R. Walsh, J.P. Cannady, R. Becerra, and J.A. Lee Phys. Chem. Chem. Phys. 5 2003 5371
27. T. Ibuki, N. Washida, U. Itoh, Y. Toyoshima, and H. Onuki Chem. Phys. Lett. 136 1987 447
28. F. Valencia, A.H. Romero, M. Kiwi, R. Ramirez, and A. Toro-Labbe Chem. Phys. Lett. 371 2003 267
29. F. Denes, A.R. Denes, and J.P. Kennedy J. Macromol. Sci. Pure Appl. Chem. A34 1997 1107
30. L. Wang, and Y.-L. He Int. J. Mass Spectrom. 276 2008 56
31. E.R. Fisher, and P.B. Armentrout J. Phys. Chem. 95 1991 4765
32. G. Urry J. Inorg. Nucl. Chem. 26 1964 409
33. G. Urry Acc. Chem. Res. 3 1970 306
34. A.F. Holleman, and N. Wiberg Lehrbuch der Anorganischen Chemie 2007 de Gruyter Berlin
35. N. Auner, and G. Lippold Nachr. Chem. 55 2007 627
36. Evonik Industries press release 18.08.2011, http://corporate.evonik.com/ en/media/archive/pages/news-details.aspx?newsid=21552 (accessed 26.05.13).
37. W. Molnar, A. Lugstein, P. Pongratz, N. Auner, C. Bauch, and E. Bertagnolli Nano Lett. 10 2010 3957
38. F. Meyer-Wegner, A. Nadj, M. Bolte, N. Auner, M. Wagner, M.C. Holthausen, and H.-W. Lerner Chem. Eur. J. 17 2011 4715
39. J. Tillmann, F. Meyer-Wegner, A. Nadj, J. Becker-Baldus, T. Sinke, M. Bolte, M.C. Holthausen, M. Wagner, and H.-W. Lerner Inorg. Chem. 51 2012 8599 8606
40. M. Winhold, C.H. Schwalb, F. Porrati, R. Sachser, A.S. Frangakis, B. Kämpken, A. Terfort, N. Auner, and M. Huth ACS Nano 5 2011 9675
41. D. Schröder, and H. Schwarz Russ. Chem. Bull. Int. Ed. 50 2001 2087
42. Gaussian 09, Revision A.03, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G., Scalmani, V., Barone, B., Mennucci, G. A. Petersson, H., Nakatsuji, M., Caricato, X., Li, H. P. Hratchian, A. F. Izmaylov, J., Bloino, G., Zheng, J. L. Sonnenberg, M., Hada, M., Ehara, K., Toyota, R., Fukuda, J., Hasegawa, M., Ishida, T., Nakajima, Y., Honda, O., Kitao, H., Nakai, T., Vreven, J. A. Montgomery, Jr., J. E. Peralta, F., Ogliaro, M., Bearpark, J. J. Heyd, E., Brothers, K. N. Kudin, V. N. Staroverov, R., Kobayashi, J., Normand, K., Raghavachari, A., Rendell, J. C. Burant, S. S. Iyengar, J., Tomasi, M., Cossi, N., Rega, J. M. Millam, M., Klene, J. E. Knox, 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, R. L. Martin, K., Morokuma, V. G. Zakrzewski, G. A. Voth, P., Salvador, J. J. Dannenberg, S., Dapprich, A. D. Daniels, O., Farkas, J. B. Foresman, J. V. Ortiz, J., Cioslowski, D. J. Fox, Gaussian, Inc., Wallingford CT, 2009.
43. A.D. Becke Phys. Rev. A 38 1988 3098
44. A.D. Becke J. Chem. Phys. 98 1993 5648
45. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B 37 1988 785
46. P.J. Stephens, F.J. Devlin, C.F. Chabalowski, and M.J. Frisch J. Phys. Chem. 98 1994 11623
47. S.H. Vosko, L. Wilk, and M. Nusair Can. J. Phys. 58 1980 1200
48. R.H. Hertwig, and W. Koch Chem. Phys. Lett. 268 1997 345
49. S. Grimme J. Comput. Chem. 25 2004 1463
50. S. Grimme J. Comput. Chem. 27 2006 1787
51. A. Schäfer, H. Horn, and R. Ahlrichs J. Chem. Phys. 97 1992 2571
52. J.R. Rakow, S. Tüllmann, and M.C. Holthausen J. Phys. Chem. A 113 2009 12035
53. J.J.A. Montgomery, M.J. Frisch, J.W. Ochterski, and G.A. Petersson J. Chem. Phys. 110 1999 2822
54. J.J.A. Montgomery, M.J. Frisch, J.W. Ochterski, and G.A. Petersson J. Chem. Phys. 112 2000 6532
55. J.M.L. Martin, and G. de Oliveira J. Chem. Phys. 111 1999 1843
56. S. Parthiban, and J.M.L. Martin J. Chem. Phys. 114 2001 6014
57. E.C. Barnes, G.A. Petersson, J.A. Montgomery, M.J. Frisch, and J.M.L. Martin J. Chem. Theory Comput. 5 2009 2687
58. This convention is explained by S.G. Lias, J.E. Bartmess in their article 'Gas-phase ion thermochemistry' made available by NIST at http://webbook.nist. gov/chemistry/ion/#IC (accessed 26.05.13).
59. H.-C. Jankowiak, J.L. Stuber, and R. Berger J. Chem. Phys. 127 2007 234101
60. R. Berger, C. Fischer, and M. Klessinger J. Phys. Chem. A 102 1998 7157
61. J. Huh, R. Berger, arXiv:111.3052v1 (2011).
62. J.W. Warren Nature 165 1950 810
63. F.P. Lossing, A.W. Tickner, and W.A. Bryce J. Chem. Phys. 19 1951 1254
64. F.P. Lossing, A.W. Tickner, and W.A. Bryce J. Chem. Phys. 20 1952 537
65. M.J. Lacey, and C.G. Macdonald Org. Mass Spectrom. 12 1977 587
66. M.J. Lacey, and C.G. Macdonald Org. Mass Spectrom. 13 1978 243
67. M.J. Lacey, and C.G. Macdonald Org. Mass Spectrom. 13 1978 284
68. R.K. Boyd Mass. Spectrom. Rev. 13 1994 359
69. A. Fraefel, and J. Seibl Mass. Spectrom. Rev. 4 1985 151
70. K. Levsen, and H. Schwarz Mass. Spectrom. Rev. 2 1983 77
71. W.G. Mallard, and P.J. Linstrom NIST Chemistry WebBook, NIST Standard Reference Database Number 69 February, 2000 National Institute of Standards and Technology, Gaithersburg, MD 20899, http://webbook.nist.gov/chemistry (accessed 26.05.13)
72. H.R. Ihle, C.H. Wu, M. Miletic, and K.F. Zmbov Adv. Mass Spectrom. 7 1978 670
73. P. Potzinger, A. Ritter, and J. Krause Z. Naturforsch. 30 1975 347
74. V.I. Khvostenko, B.G. Zykov, V.P. Yuriev, V.F. Mironov, G.I. Kovel'zon, A.A. Panasenko, V.D. Sheludyakov, and I.A. Gailyunas J. Organomet. Chem. 218 1981 155
75. N.S. Shuman, A.P. Spencer, and T. Baer J. Phys. Chem. A 113 2009 9458
76. M.E. Weber, and P.B. Armentrout J. Phys. Chem. 93 1989 1596
77. S.A. McLuckey, D. Cameron, and R.G. Cooks J. Am. Chem. Soc. 103 1981 1313
78. M.T. Swihart, and R.W. Carr J. Phys. Chem. A 102 1997 785
79. W.C. Steele, and F.G.A. Stone J. Am. Chem. Soc. 84 1962 3599
80. TURBOMOLE V6.3.1 2011, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007; available from http://www.turbomole.com