Collision cross section calculations for polyatomic ions considering rotating diatomic/linear gas molecules

Journal of Chemical Physics

Volumn 141, Issue 19, 2014, Pages

  Larriba Andaluz, Carlos ^a   Hogan, Christopher J ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ION EXCHANGE; IONS; KINETIC ENERGY; KINETICS; MOLECULES; PLASMA COLLISION PROCESSES; POTENTIAL ENERGY; PREDICTIVE ANALYTICS; SPHERES;

CALCULATION APPROACHES; COLLISION CROSS SECTIONS; INELASTIC COLLISION; ION MOBILITY SPECTROMETRY; KINETIC ENERGY EXCHANGES; STRUCTURAL CHARACTERIZATION; STRUCTURAL MODELING; THERMAL ACCOMMODATION;

GASES;

EID: 84911930206     PISSN: 00219606     EISSN: 10897690     Source Type: Journal    
DOI: 10.1063/1.4901890     Document Type: Article

References (53)

1. J. Fernandez de la Mora, L. de Juan, T. Eichler, and J. Rosell, TrAC, Trends Anal. Chem. 17, 328 (1998). 10.1016/S0165-9936(98)00039-9
2. G. von Helden, M. T. Hsu, P. R. Kemper, and M. T. Bowers, J. Chem. Phys. 95, 3835 (1991). 10.1063/1.460783
3. E. W. McDaniel and E. A. Mason, The Mobility and Diffusion of Ions in Gases (Wiley, 1973).
4. A. A. Shvartsburg, S. V. Mashkevich, and K. W. M. Siu, J. Phys. Chem. A 104, 9448 (2000). 10.1021/jp001753a
5. H. Ouyang, C. Larriba-Andaluz, D. R. Oberreit, and C. J. Hogan, J. Am. Soc. Mass Spectrom. 24, 1833 (2013). 10.1007/s13361-013-0724-8
6. Z. Li and H. Wang, Phys. Rev. E 68, 061206 (2003). 10.1103/PhysRevE.68.061206
7. T. Wyttenbach, C. Bleiholder, and M. T. Bowers, Anal. Chem. 85, 2191 (2013). 10.1021/ac3029008
8. C. Larriba and C. J. Hogan, J. Comput. Phys. 251, 344 (2013). 10.1016/j.jcp.2013.05.038
9. C. Larriba and C. J. Hogan, J. Phys. Chem. A 117, 3887 (2013). 10.1021/jp312432z
10. M. F. Mesleh, J. M. Hunter, A. A. Shvartsburg, G. C. Schatz, and M. F. Jarrold, J. Phys. Chem. 100, 16082 (1996). 10.1021/jp961623v
11. A. A. Shvartsburg and M. F. Jarrold, Chem. Phys. Lett. 261, 86 (1996). 10.1016/0009-2614(96)00941-4
12. H. I. Kim et al., Anal. Chem. 81, 8289 (2009). 10.1021/ac900672a
13. Y. Alexeev, D. G. Fedorov, and A. A. Shvartsburg, J. Phys. Chem. A 118, 6763 (2014). 10.1021/jp505012c
14. B. T. Ruotolo, J. L. P. Benesch, A. M. Sandercock, S. J. Hyung, and C. V. Robinson, Nat. Protoc. 3, 1139 (2008). 10.1038/nprot.2008.78
15. A. A. Shvartsburg, S. V. Mashkevich, E. S. Baker, and R. D. Smith, J. Phys. Chem. A 111, 2002 (2007). 10.1021/jp066953m
16. D. W. Mackowski, J. Aerosol Sci. 37, 242 (2006). 10.1016/j.jaerosci.2004.11.011
17. A. A. Shvartsburg, B. Liu, K. W. M. Siu, and K. M. Ho, J. Phys. Chem. A 104, 6152 (2000). 10.1021/jp0004765
18. B. S. Kinnear, D. T. Kaleta, M. Kohtani, R. R. Hudgins, and M. F. Jarrold, J. Am. Chem. Soc. 122, 9243 (2000). 10.1021/ja001207v
19. A. A. Shvartsburg, B. Liu, M. F. Jarrold, and K. M. Ho, J. Chem. Phys. 112, 4517 (2000). 10.1063/1.481042
20. R. R. Hudgins, M. Imai, M. F. Jarrold, and P. Dugourd, J. Chem. Phys. 111, 7865 (1999). 10.1063/1.480164
21. P. Dugourd, R. R. Hudgins, and M. F. Jarrold, Chem. Phys. Lett. 267, 186 (1997). 10.1016/S0009-2614(97)00062-6
22. I. Campuzano et al., Anal. Chem. 84, 1026 (2012). 10.1021/ac202625t
23. C. Larriba, C. J. Hogan, M. Attoui, R. Borrajo, J. Fernandez-Garcia, and J. Fernandez de la Mora, Aerosol Sci. Technol. 45, 453 (2011). 10.1080/02786826.2010.546820
24. B. K. Ku and J. Fernandez de la Mora, Aerosol Sci. Technol. 43, 241 (2009). 10.1080/02786820802590510
25. I. V. Adamovich and J. W. Rich, J. Chem. Phys. 109, 7711 (1998). 10.1063/1.477417
26. H. Ambaye and J. R. Manson, Phys. Rev. E 73, 031202 (2006). 10.1103/PhysRevE.73.031202
27. H. Ambaye and J. R. Manson, J. Chem. Phys. 125, 084717 (2006). 10.1063/1.2209237
28. R. A. Millikan, Phys. Rev. 22, 1 (1923). 10.1103/PhysRev.22.1
29. P. S. Epstein, Phys. Rev. 23, 710 (1924). 10.1103/PhysRev.23.710
30. Z. G. Li and H. Wang, Phys. Rev. Lett. 95, 014502 (2005). 10.1103/PhysRevLett.95.014502
31. S. Ude and J. Fernandez de la Mora, J. Aerosol Sci. 36, 1224 (2005). 10.1016/j.jaerosci.2005.02.009
32. C. Larriba and J. Fernandez de la Mora, J. Phys. Chem. B 116, 593 (2012). 10.1021/jp2092972
33. M. Niwa, K. Yamazaki, and Y. Murakami, Ind. Eng. Chem. Res. 30, 38 (1991). 10.1021/ie00049a006
34. E. C. Kemble, Phys. Rev. 8, 689 (1916). 10.1103/PhysRev.8.689
35. See supplementary material at http://dx.doi.org/10.1063/1.4901890 E-JCPSA6-141-014444 for a description of the application of Rotation Matrices.
36. Y. Wang and M. T. Mason, Proc. Int. Conf. Rob. Autom. 4, 678 (1987). 10.1109/ROBOT.1987.1087851
37. D. Baraff, IEEE Comput. Graphics Appl. 15, 63 (1975). 10.1109/38.376615
38. T. L. Pukala et al., Structure 17, 1235 (2009). 10.1016/j.str.2009.07.013
39. S. Ude, J. Fernandez de la Mora, and B. A. Thomson, J. Am. Chem. Soc. 126, 12184 (2004). 10.1021/ja0381306
40. C. Larriba, J. Fernandez de la Mora, and D. E. Clemmer, J. Am. Soc. Mass Spectrom. 25, 1332 (2014). 10.1007/s13361-014-0885-0
41. E. Criado-Hidalgo, J. Fernández-García, and J. Fernández de la Mora, Anal. Chem. 85, 2710 (2013). 10.1021/ac303054x
42. S. Trimpin and D. E. Clemmer, Anal. Chem. 80, 9073 (2008). 10.1021/ac801573n
43. F. W. McLafferty, S. Castro, and K. Breuker, Eur. J. Mass Spectrom. 16, 437 (2010). 10.1255/ejms.1058
44. M. Schennach and K. Breuker, Angew. Chem., Int. Ed. 53, 164 (2014). 10.1002/anie.201306838
45. O. S. Skinner, F. W. McLafferty, and K. Breuker, J. Am. Soc. Mass Spectrom. 23, 1011 (2012). 10.1007/s13361-012-0370-6
46. C. J. Hogan, B. T. Ruotolo, C. V. Robinson, and J. Fernandez de la Mora, J. Phys. Chem. B 115, 3614 (2011). 10.1021/jp109172k
47. J. Freeke, M. F. Bush, C. V. Robinson, and B. T. Ruotolo, Chem. Phys. Lett. 524, 1 (2012). 10.1016/j.cplett.2011.11.014
48. L. J. Han, S. J. Hyung, and B. T. Ruotolo, Angew. Chem., Int. Ed. 51, 5692 (2012). 10.1002/anie.201109127
49. A. Maiber, V. Premnath, A. Ghosh, T. A. Nguyen, M. Attoui, and C. J. Hogan, Phys. Chem. Chem. Phys. 13, 21630 (2011). 10.1039/c1cp22127b
50. H. Jung, K. Han, G. W. Mulholland, D. Y. H. Pui, and J. H. Kim, J. Aerosol Sci. 65, 42 (2013). 10.1016/j.jaerosci.2013.07.007
51. C. Bleiholder, T. Wyttenbach, and M. T. Bowers, Int. J. Mass Spectrom. 308, 1 (2011). 10.1016/j.ijms.2011.06.014
52. M. D. Allen and O. G. Raabe, Aerosol Sci. Technol. 4, 269 (1985). 10.1080/02786828508959055
53. J. H. Kim, G. W. Mulholland, S. R. Kukuck, and D. Y. H. Pui, J. Res. Natl. Inst Stand. Technol. 110, 31 (2005). 10.6028/jres.110.005