Dissociative energy flow, vibrational energy redistribution, and conformeric structural dynamics in bifunctional amine model systems

Journal of Physical Chemistry A

Volumn 114, Issue 42, 2010, Pages 11078-11084

  Bush, Joseph C ^a   Minitti, Michael P ^a   Weber, Peter M ^a  

^a BROWN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIBONDING ORBITAL; BIEXPONENTIAL DECAY; BIFUNCTIONAL; ELECTRON BINDING ENERGY; ELECTRON CAPTURE DISSOCIATION; ELECTRONIC DYNAMICS; ENERGY FLOW; FAST REACTION; FRAGMENTATION PATHWAYS; MASS SPECTRA; MODEL SYSTEM; MULTIPHOTON IONIZATION; RYDBERG FINGERPRINT SPECTROSCOPY; SIGNAL INTENSITIES; TIME CONSTANTS; TIME-RESOLVED; TIME-SCALES; VIBRATIONAL ENERGIES;

BINDING ENERGY; MASS SPECTROMETRY; MULTIPHOTON PROCESSES; PHOTOIONIZATION; RYDBERG STATES; STRUCTURAL DYNAMICS;

PHOTODISSOCIATION;

CYCLOHEXYLAMINE DERIVATIVE; N,N DIMETHYLCYCLOHEXYLAMINE; N,N DIMETHYLPHENYLETHYLAMINE; N,N-DIMETHYLCYCLOHEXYLAMINE; N,N-DIMETHYLPHENYLETHYLAMINE; PHENETHYLAMINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTROSPRAY MASS SPECTROMETRY; MOLECULAR DYNAMICS; QUANTUM THEORY; SPECTROSCOPY; VIBRATION;

CYCLOHEXYLAMINES; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; PHENETHYLAMINES; QUANTUM THEORY; SPECTROMETRY, MASS, ELECTROSPRAY IONIZATION; SPECTRUM ANALYSIS; VIBRATION;

EID: 77958453930     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp101881x     Document Type: Article

References (33)

1. Breuker, K.; Oh, H.; Lin, C.; Carpenter, B. K.; McLafferty, F. W. Proc. Natl. Acad. Sci. U.S.A. 2004, 101, 14011-14016
2. Tang, X. J.; Thibault, P.; Boyd, R. K. Anal. Chem. 1993, 65, 2824-2834
3. Little, D. P.; Speir, J. P.; Senko, M. W.; O'Connor, P. B.; McLafferty, F. W. Anal. Chem. 1994, 66, 2809-2815
4. Kruger, N. A.; Zubarev, R. A.; Carpenter, B. K.; Kelleher, N. L.; Horn, D. M.; McLafferty, F. W. Int. J. Mass Spectrom. 1999, 182-183, 1-5
5. Zubarev, R. A.; Kelleher, N. L.; McLafferty, F. W. J. Am. Chem. Soc. 1998, 120, 3265
6. Turecek, F. J. Am. Chem. Soc. 2003, 125, 5954-5963
7. Leymarie, N.; Costello, C. E.; O'Connor, P. B. J. Am. Chem. Soc. 2003, 125, 8949-8958
8. Anusiewicz, I.; Berdys-Kochanska, J.; Simons, J. J. Phys. Chem. A 2005, 109, 5801-5813
9. Sawicka, A.; Berdys-Kochanska, J; Skurski, P.; Simons, J. Int. J. Quantum Chem. 2005, 102, 838-846
10. Sobczyk, M.; Simons, J. Int. J. Mass Spectrom. 2006, 253, 274-280
11. Sobczyk, M.; Simons, J. J. Phys. Chem. B 2006, 110, 7159-7527
12. Kemnitz, C. R.; Loewen, M. J. J. Am. Chem. Soc. 2007, 129, 2521
13. Brundle, C. R.; Turner, D. W.; Robin, M. B.; Basch, H. Chem. Phys. Lett. 1969, 3, 92
14. Cheng, W.; Kuthirummal, N.; Gosselin, J. L.; Sølling, T. I.; Weinkauf, R.; Weber, P. M. J. Phys. Chem. A 2005, 109, 1920-1925 9
15. Weinkauf, R. L. Resonance Ionization Spectroscopy: American Institute of Physics: Maryland, 1998; pp 117 - 124.
16. Lehr, L.; Horneff, T.; Weinkauf, R.; Schlag, E. W. J. Phys. Chem. A 2005, 109, 8074-8080
17. Weinkauf, R.; Lehr, L.; Metsala, A. J. Phys. Chem. A 2003, 107 (16) 2787-2799
18. Bixon, M.; Jortner, J. J. Chem. Phys. 1997, 107, 5154-5170
19. Lehr, L; Horneff, T.; Weinkauf, R.; Schlag, E. W. J. Phys. Chem. A 2005, 109, 8074-8080
20. Bixon, M.; Giese, B.; Wessely, S.; Langenbacher, T.; Michel-Beyerle, M. E.; Jortner, J. Proc. Natl. Acad. Sci. 1999, 96, 11713-11716 21
21. Kuthirummal, N.; Weber, P. M. Chem. Phys. Lett. 2003, 378, 647-653
22. Gosselin, J. L.; Weber, P. M. J. Phys. Chem. A 2005, 109, 4899-4904
23. Kuthirummal, N.; Weber, P. M. J. Mol. Struct. 2006, 787, 163-166
24. Minitti, M. P.; Cardoza, J. D.; Weber, P. M. J. Phys. Chem. A 2006, 110, 10212-10218
25. Minitti, M. P.; Weber, P. M. Phys. Rev. Lett. 2007, 98, 253004/1-4
26. Rudakov, F. M.; Weber, P. M. Chem. Phys. Lett. 2009, 470, 187-190
27. Gosselin, J. L.; Minitti, M. P.; Rudakov, F. M.; Sølling, T. I.; Weber, P. M. J. Phys. Chem. A 2006, 110, 4251-4255
28. Kim, B.; Thantu, N.; Weber, P. M. J. Chem. Phys. 1992, 97, 5384
29. Cardoza, J. D.; Weber, P. M. J. Chem. Phys. 2007, 127 036101/1
30. Devereux, J. M.; Payne, K. R.; Peeling, E. R. A. J. Chem. Soc. 1957, 2845-2851
31. Cardoza, J. D.; Rudakov, F. M.; Weber, P. M. J. Phys. Chem. A 2008, 112 (43) 10736-10743
32. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.
33. Deb, S.; Bayes, B.; Minitti, M. P.; Weber, P. M. Structural Dynamics in Floppy Systems: Ultrafast Conformeric Motions in Rydberg-Excited Triethylamine, submitted for publication.