Observation of NH X 3∑ - as a primary product of methylamine photodissociation: Evidence of roaming-mediated intersystem crossing?

Journal of Physical Chemistry Letters

Volumn 3, Issue 10, 2012, Pages 1341-1345

  Thomas, James O ^b   Lower, Katherine E ^b   Murray, Craig ^a  

^a UNIVERSITY OF GLASGOW   (United Kingdom)

^b UNIVERSITY OF BRISTOL   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CLOSED SHELLS; CO-PRODUCTS; EXCITATION SPECTROSCOPY; INTERSYSTEM CROSSING; PHOTOFRAGMENTS; RESONANCE-ENHANCED MULTIPHOTON IONIZATION; THERMOCHEMICAL DATA;

CHEMICAL REACTIONS; PHOTODISSOCIATION; PHOTOIONIZATION;

EXCITED STATES;

EID: 84862083153     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz300408z     Document Type: Article

References (29)

1. Townsend, D.; Lahankar, S. A.; Lee, S. K.; Chambreau, S. D.; Suits, A. G.; Zhang, X.; Rheinecker, J.; Harding, L. B.; Bowman, J. M. The Roaming Atom: Straying from the Reaction Path in Formaldehyde Decomposition Science 2004, 306, 1158-1161
2. Suits, A. G.; Chambreau, S. D.; Lahankar, S. A. State-Correlated DC Slice Imaging of Formaldehyde Photodissociation: Roaming Atoms and Multichannel Branching Int. Rev. Phys. Chem. 2007, 26, 585-607
3. Suits, A. G. Roaming Atoms and Radicals: A New Mechanism in Molecular Dissociation Acc. Chem. Res. 2008, 41, 873-881
4. Herath, N.; Suits, A. G. Roaming Radical Reactions J. Phys. Chem. Lett. 2011, 2, 642-647
5. Houston, P. L.; Kable, S. H. Photodissociation of Acetaldehyde as a Second Example of the Roaming Mechanism Proc. Natl. Acad. Sci. U.S.A. 2006, 103, 16079-16082
6. Heazlewood, B. R.; Jordan, M. J. T.; Kable, S. H.; Selby, T. M.; Osborn, D. L.; Shepler, B. C.; Braams, B. J.; Bowman, J. M. Roaming is the Dominant Mechanism for Molecular Products in Acetaldehyde Photodissociation Proc. Natl. Acad. Sci. U.S.A. 2008, 105, 12719-12724
7. 3 Photolysis J. Phys. Chem. Lett. 2010, 1, 2455-2458
8. Xiao, H.; Maeda, S.; Morokuma, K. Excited-State Roaming Dynamics in Photolysis of a Nitrate Radical J. Phys. Chem. Lett. 2011, 2, 934-938
9. 2 Science 2012, 335, 1075-1078
10. Grubb, M. P.; Warter, M. L.; North, S. W. Stereodynamics in Multistate Roaming Phys. Chem. Chem. Phys. 2012, 14, 6733-6740
11. Sivaramakrishnan, R.; Michael, J. V.; Klippenstein, S. J. Direct Observation of Roaming Radicals in the Thermal Decomposition of Acetaldehyde J. Phys. Chem. A 2010, 114, 755-764
12. Sivaramakrishnan, R.; Michael, J. V.; Wagner, A. F.; Dawes, R.; Jasper, A. W.; Harding, L. B.; Georgievskii, Y.; Klippenstein, S. J. Roaming Radicals in the Thermal Decomposition of Dimethyl Ether: Experiment and Theory Combust. Flame 2011, 158, 618-632
13. Sivaramakrishnan, R.; Su, M. C.; Michael, J. V.; Klippenstein, S. J.; Harding, L. B.; Ruscic, B. Shock Tube and Theoretical Studies on the Thermal Decomposition of Propane: Evidence for a Roaming Radical Channel J. Phys. Chem. A 2011, 115, 3366-3379
14. Michael, J. V.; Noyes, W. A. The Photochemistry of Methylamine J. Am. Chem. Soc. 1963, 85, 1228-1233
15. 2 at 222 nm J. Phys. Chem. 1995, 99, 2635-2645
16. 2 in à States J. Chem. Phys. 2003, 118, 11026-11039
17. 2 J. Chem. Phys. 2006, 125, 084311-084318.
18. Western, C. M. PGOPHER, A Program for Simulating Rotational Structure; University of Bristol: Bristol, U.K.; http://pgopher.chm.bris.ac.uk.
19. Clement, S. G.; Ashfold, M. N. R.; Western, C. M.; Johnson, R. D., III; Hudgens, J. W. Triplet Rydberg States of the Imidogen Radical Characterized via Two-Photon Resonance-Enhanced Multiphoton Ionization Spectroscopy J. Chem. Phys. 1992, 97, 7064-7072
20. Sander, S. P.; Abbatt, J.; Barker, J. R.; Burkholder, J. B.; Friedl, R. R.; Golden, D. M.; Huie, R. E.; Kolb, C. E.; Kurylo, M. J.; Moortgat, G. K.; Orkin, V. L.;; Wine, P. H. Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 17; JPL Publication 10-6; Jet Propulsion Laboratory: Pasadena, CA, 2011; http://jpldataeval.jpl.nasa.gov.
21. Abuain, T.; Walker, I. C.; Dance, D. F. The Lowest Triplet State in Ammonia and Methylamine Detected by Electron-Impact Excitation J. Chem. Soc., Faraday Trans. 1984, 80, 641-645
22. Turro, N. J.; Ramamurthy, V.; Scaiano, J. C. Modern Molecular Photochemistry of Organic Molecules; University Science Books: Sausalito, CA, 2010.
23. Dunn, K. M.; Morokuma, K. Ab Initio Study of the Photochemical Dissociation of Methylamine J. Phys. Chem. 1996, 100, 123-129
24. Reed, C. L.; Kono, M.; Ashfold, M. N. R. Near-UV Photolysis of Methylamine Studied by H-Atom Photofragment Translational Spectroscopy J. Chem. Soc., Faraday Trans. 1996, 92, 4897-4904
25. Ahn, D.-S.; Lee, J.; Choi, J.-M.; Lee, K.-S.; Baek, S. J.; Lee, K.; Baeck, K.-K.; Kim, S. K. State-Selective Predissociation Dynamics of Methylamines: The Vibronic and H/D Effects on the Conical Intersection Dynamics J. Chem. Phys. 2008, 128, 224305-224307
26. -) with Hydrocarbons Part 1: Saturated Hydrocarbons and Acetaldehyde Ber. Bunsen-Ges. Phys. Chem. 1994, 98, 858-863
27. 2 + CO Reaction J. Phys. Chem. A 2009, 113, 4138-4144
28. Klippenstein, S. J.; Georgievskii, Y.; Harding, L. B. Statistical Theory for the Kinetics and Dynamics of Roaming Reactions J. Phys. Chem. A 2011, 115, 14370-14381
29. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A., Gaussian 09, revision B.01; Gaussian, Inc.: Wallingford, CT, 2009.