Proton-bound 3-cyanophenylalanine trimethylamine clusters: Isomer-specific fragmentation pathways and evidence of gas-phase zwitterions

Journal of Physical Chemistry A

Volumn 117, Issue 41, 2013, Pages 10714-10718

  Hopkins, W Scott ^a   Marta, Rick A ^a   McMahon, Terry B ^a  

^a UNIVERSITY OF WATERLOO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION PATHWAYS; FRAGMENTATION PATHWAYS; GASPHASE; INFRARED MULTIPLE PHOTON DISSOCIATIONS; PROTONATED; TRIMETHYLAMINE; ZWITTERIONIC SPECIES;

DISSOCIATION; PROTONATION; PROTONS;

ISOMERS;

ALANINE; DRUG DERIVATIVE; ION; METHYLAMINE; NITRILE; P CYANOPHENYLALANINE; P-CYANOPHENYLALANINE; PROTON; TRIMETHYLAMINE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; GAS; INFRARED RADIATION; ISOMERISM; PHASE TRANSITION;

ALANINE; COMPUTER SIMULATION; GASES; INFRARED RAYS; IONS; ISOMERISM; METHYLAMINES; MODELS, MOLECULAR; NITRILES; PHASE TRANSITION; PROTONS;

EID: 84886891017     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp407766j     Document Type: Article

References (35)

1. Bush, M. F.; Prell, J. S.; Saykally, R. J.; Williams, E. R. J. Am. Chem. Soc. 2007, 129, 13544
2. Chapo, C. J.; Paul, J. B.; Provencal, R. A.; Roth, K.; Saykally, R. J. J. Am. Chem. Soc. 1998, 120, 12956
3. Julian, R. R.; Hodyss, R.; Beauchamp, J. L. J. Am. Chem. Soc. 2001, 123, 3577
4. Kapota, C.; Lemaire, J.; Maiître, P.; Ohanessian, G. J. Am. Chem. Soc. 2004, 126, 1836
5. Lesarri, A.; Cocinero, E. J.; Lopez, J. C.; Alonso, J. L. Angew. Chem., Int. Ed. 2004, 43, 605
6. Wu, R.; McMahon, T. B. Angew. Chem. 2007, 46, 3668
7. Wu, R.; McMahon, T. B. J. Mass Spectrom. 2008, 43, 1641
8. Wyttenbach, T.; Witt, M.; Bowers, M. T. J. Am. Chem. Soc. 2000, 122, 3458
9. Ruoff, R. S.; Klots, T. D.; Emilsson, T.; Gutowsky, H. S. J. Chem. Phys. 1990, 93, 3142
10. Wales, D. J.; Doye, J. P. K. J. Phys. Chem. A 1997, 101, 5111
11. Asmis, K. R.; Pivonka, N. L.; Santambrogio, G.; Brummer, M.; Kaposta, C.; Neumark, D. M.; Woste, L. Science 2003, 299, 1375
12. Dunbar, R. C.; Steill, J. D.; Polfer, N. C.; Berden, G.; Oomens, J. Angew. Chem., Int. Ed. 2012, 51, 4591
13. Gruene, P.; Rayner, D. M.; Redlich, B.; van der Meer, A. F. G.; Lyon, J. T.; Meijer, G.; Fielicke, A. Science 2008, 321, 674
14. Hamilton, S. M.; Hopkins, W. S.; Harding, D. J.; Walsh, T. R.; Gruene, P.; Haertelt, M.; Fielicke, A.; Meijer, G.; Mackenzie, S. R. J. Am. Chem. Soc. 2010, 132, 1448
15. Martens, J. K.; Compagnon, I.; Nicol, E.; McMahon, T. B.; Clavaguera, C.; Ohanessian, G. J. Phys. Chem. Lett. 2012, 3, 3320
16. Wu, R. H.; Marta, R. A.; Martens, J. K.; Eldridge, K. R.; McMahon, T. B. J. Am. Soc. Mass Spectrom. 2011, 22, 1651
17. Ziegler, B. E.; Marta, R. A.; Martens, S. M.; Martens, J. K.; McMahon, T. B. Int. J. Mass Spectrom. 2012, 316, 117
18. Frisch, M. J.; Trucks, G. W., Gaussian 09, Revision A.02.; Gaussian, Inc.: Wallingford, CT, 2009.
19. Pearlman, D. A.; Case, D. A.; Caldwell, J. W.; Ross, W. S.; Cheatham, T. E.; Debolt, S.; Ferguson, D.; Seibel, G.; Kollman, P. Comput. Phys. Commun. 1995, 91, 1
20. Wang, J. M.; Wolf, R. M.; Caldwell, J. W.; Kollman, P. A.; Case, D. A. J. Comput. Chem. 2004, 25, 1157
21. Wiberg, K. B.; Rablen, P. R. J. Comput. Chem. 1993, 14, 1504
22. Dunbar, R. C.; Steill, J. D.; Oomens, J. J. Am. Chem. Soc. 2011, 133, 1212
23. Martens, S. M.; Marta, R. A.; Martens, J. K.; McMahon, T. B. J. Phys. Chem. A 2011, 115, 9837
24. Crampton, K. T.; Rathur, A. I.; Nei, Y. W.; Berden, G.; Oomens, J.; Rodgers, M. T. J. Am. Soc. Mass Spectrom. 2012, 23, 1469
25. Martens, S. M.; Marta, R. A.; Martens, J. K.; McMahon, T. B. J. Am. Soc. Mass Spectrom. 2012, 23, 1697
26. Nieckarz, R. J.; Oomens, J.; Berden, G.; Sagulenko, P.; Zenobi, R. Phys. Chem. Chem. Phys. 2013, 15, 5049
27. Clabo, D. A.; Allen, W. D.; Remington, R. B.; Yamaguchi, Y.; Schaefer, H. F. Chem. Phys. 1988, 123, 187
28. Andersson, M. P.; Uvdal, P. J. Phys. Chem. A 2005, 109, 2937
29. Ireta, J.; Neugebauer, J.; Scheffler, M. J. Phys. Chem. A 2004, 108, 5692
30. Santra, B.; Michaelides, A.; Scheffler, M. J. Chem. Phys. 2007, 127, 184104
31. van der Wijst, T.; Guerra, C. F.; Swart, M.; Bickelhaupt, F. M. Chem. Phys. Lett. 2006, 426, 415
32. Headrick, J. M.; Diken, E. G.; Walters, R. S.; Hammer, N. I.; Christie, R. A.; Cui, J.; Myshakin, E. M.; Duncan, M. A.; Johnson, M. A.; Jordan, K. D. Science 2005, 308, 1765
33. Lessen, D. E.; Asher, R. L.; Brucat, P. J. J. Chem. Phys. 1991, 95, 1414
34. Citir, M.; Altinay, G.; Metz, R. B. J. Phys. Chem. A 2006, 110, 5051
35. Citir, M.; Metz, R. B. J. Chem. Phys. 2008, 128, 024307