Collision induced dissociation of protonated urea with N2: Effects of rotational energy on reactivity and energy transfer via chemical dynamics simulations

International Journal of Mass Spectrometry

Volumn 308, Issue 2-3, 2011, Pages 289-298

  Jeanvoine, Yannick ^a   Gaigeot, Marie Pierre ^a,b   Hase, William L ^c   Song, Kihyung ^d   Spezia, Riccardo ^a  

^a UNIVERSITÉ D EVRY VAL D ESSONNE   (France)

^b INSTITUT UNIVERSITAIRE DE FRANCE   (France)

^c TEXAS TECH UNIVERSITY   (United States)

^d Korea National University of Education   (South Korea)

Author keywords

Collision induced dissociation; Energy transfer; Gas phase reactivity; Molecular dynamics; QM MM chemical dynamics; Rotational energy

Indexed keywords

EID: 80955142804     PISSN: 13873806     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijms.2011.07.029     Document Type: Article

References (47)

1. R.G. Cooks R.G. Cooks, Collision Spectroscopy 1978 Plenum New York
2. E.R. Fisher, B.L. Kickel, and P.B. Armentrout J. Phys. Chem. 97 1993 10204
3. R.E. Tosh, A.K. Shukla, and J.H. Futrell J. Chem. Phys. 114 2986 2001
4. F. Muntean, and P.B. Armentrout J. Chem. Phys. 115 2001 1213
5. Y.J. Fu, J. Laskin, and L.S. Wang Int. J. Mass Spectrom. 255 2006 102
6. D.R. Carl, R.M. Moision, and P.B. Armentrout Int. J. Mass Spectrom. 256 2007 308
7. P.B. Armentrout, H. Koizumi, and M. MacKenna J. Phys. Chem. A 109 2005 11365
8. J.-Y. Salpin, and J. Tortajada J. Mass Spectrom. 37 2002 379
9. N. Hallowita, D.R. Carl, P.B. Armentrout, and M.T. Rodgers J. Phys. Chem. A 112 2008 7996
10. R. Chawla, A. Shukla, and J.H. Futrell J. Phys. Chem. A 105 2001 349
11. W. Buchmann, R. Spezia, G. Tournois, T. Cartailler, and J. Tortajada J. Mass Spectrom. 42 2007 517
12. A.L. Heaton, and P.B. Armentrout J. Phys. Chem. A 112 2008 10156
13. J. Laskin, E. Denisov, and J.H. Futrell Int. J. Mass Spectrom. 219 2002 189
14. J. Laskin, E. Denisov, and J.H. Futrell J. Chem. Phys. 116 2002 4302
15. X. Chen, L. Yu, J.D. Steill, J. Oomens, and N.C. Polfer J. Am. Chem. Soc. 131 2009 18272
16. R. Spezia, J.-Y. Salpin, M.-P. Gaigeot, W.L. Hase, and K. Song J. Phys. Chem. A 113 2009 13853
17. O. Meroueh, and W.L. Hase J. Phys. Chem. A 103 1999 3981
18. J. Liu, B.W. Uselman, J.M. Boyle, and S.L. Anderson J. Chem. Phys. 125 2006 133115
19. L. Sun, and W.L. Hase Rev. Comput. Chem. 19 2003 79
20. G.H. Peslherbe, H. Wang, and W.L. Hase Adv. Chem. Phys. 105 1999 171
21. E. Martnez-Nuñez, A. Fernndez-Ramos, S.A. Vzquez, J.M.C. Marques, M. Xue, and W.L. Hase J. Chem. Phys. 123 2005 154311
22. J. Liu, K. Song, W.L. Hase, and S.L. Anderson J. Chem. Phys. 119 2003 3040
23. P. de Sainte Claire, and W.L. Hase J. Phys. Chem. 100 1996 8190
24. R. Spezia, A. Cimas, J.-Y. Salpin, M.-P. Gaigeot, K. Song, W.L. Hase, in preparation.
25. S.F. Boys, and F. Bernardi Mol. Phys. 19 1970 553
26. F.M. Tao, and Y.K. Pan J. Phys. Chem. 95 1991 3582
27. F. Rogalewicz, Y. Hoppilliard, and G. Ohanessian Int. J. Mass Spectrom. 206 2001 45
28. J.-Y. Salpin, S. Guillaumont, J. Tortajada, L. MacAleese, J. Lemaire, and P. Maitre ChemPhysChem 8 2007 2235
29. J.M. Bakker, M. Brugnara, T. Besson, J.-Y. Salpin, and P.J. Maitre Phys. Chem. A 112 2008 12393
30. Y.-P.J. Tu Org. Chem. 71 2006 5482
31. S. Chapman, and D.L. Bunker J. Chem. Phys. 62 2890 1975
32. C.S. Sloane, and W.L. Hase J. Chem. Phys. 66 1977 1523
33. Y.J. Cho, S.R. Vande Linde, L. Zhu, and W.L. Hase J. Chem. Phys. 96 1992 8275
34. W.L. Hase, R.J. Duchovic, X. Hu, A. Komornicki, K.F. Lim, D.-h. Lu, G.H. Peslherbe, K.N. Swamy, S.R. Vande Linde, A. Varandas, H. Wang, and R.J. Wolf QCPE 16 1996 671
35. X. Hu, and W.L. Hase J. Comput. Chem. 12 1014 1991
36. 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, and J.A. Pople Gaussian 03, Revision D.01 2004 Gaussian, Inc. Wallingford, CT
37. W.C. Swope, H.C. Andersen, P.H. Berens, and K.R. Wilson J. Chem. Phys. 76 1982 637
38. W.L. Hase, and D.G. Buckowski Chem. Phys. Lett. 74 1980 284
39. O. Meroueh, and W.L. Hase Int. J. Mass Spectrom. 201 2000 233
40. P. de Sainte Claire, G.H. Peslherbe, and W.L. Hase J. Phys. Chem. 99 1995 8147
41. B.H.J. Mahan Chem. Phys. 52 1970 5221
42. C.-Y.J. Ng Phys. Chem. A 106 2002 5953
43. A.A. Viggiano, and R.A. Morris J. Phys. Chem. 100 1996 19227
44. I. Dotan, and A.A. Viggiano Chem. Phys. Lett. 209 1993 67
45. A.A. Viggiano, R.A. Morris, F. Dale, J.F. Paulson, K. Giles, D. Smith, and T. Su J. Chem. Phys. 93 1990 1149
46. L. Paetow, F. Unger, B. Beutel, and K.-M. Weitzel J. Chem. Phys. 133 2010 234301
47. L. Paetow, F. Unger, W. Beichel, G. Frenking, and K.-M. Weitzel J. Chem. Phys. 132 2010 174305