Photofragmentation dynamics in solution probed by transient IR absorption spectroscopy: πσ-Mediated bond cleavage in p-Methylthiophenol and p-Methylthioanisole

Journal of Physical Chemistry Letters

Volumn 3, Issue 24, 2012, Pages 3715-3720

  Murdock, Daniel ^a   Harris, Stephanie J ^a   Karsili, Tolga N V ^a   Greetham, Gregory M ^b   Clark, Ian P ^b   Towrie, Michael ^b   Orr Ewing, Andrew J ^a   Ashfold, Michael N R ^a  

^a UNIVERSITY OF BRISTOL   (United Kingdom)

^b Science and Technology Facilities Council   (United Kingdom)

Author keywords

Excited States; Photochemistry; Spectroscopy

Indexed keywords

BOND CLEAVAGES; BOND FISSIONS; GASPHASE; GEMINATE RECOMBINATION; IR ABSORPTION SPECTROSCOPY; PHOTODISSOCIATION DYNAMICS; PHOTOFRAGMENTATION; PHOTOFRAGMENTATION DYNAMICS; SUBPICOSECOND; TIME EVOLUTIONS; TIME-RESOLVED; TIME-SCALES; TRANSIENT ABSORPTION; VIBRATIONAL EXCITATION; VIBRATIONAL RELAXATION;

INFRARED SPECTROSCOPY; PHOTOCHEMICAL REACTIONS; PHOTODISSOCIATION; PHOTOEXCITATION; SPECTROSCOPY;

EXCITED STATES;

EID: 84871581153     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz301755p     Document Type: Article

References (13)

1. Ashfold, M. N. R.; King, G. A.; Murdock, D.; Nix, M. G. D.; Oliver, T. A. A.; Sage, A. G. πσ* Excited States in Molecular Photochemistry Phys. Chem. Chem. Phys. 2010, 12, 1218-1238
2. 1πσ* States in Planar Organic Molecules: Malonaldehyde, Pyrrole and Chlorobenzene as Photochemical Model Systems Chem. Phys. 2000, 259, 181-191
3. 1πσ* States: a New Paradigm for Nonradiative Decay in Aromatic Biomolecules Phys. Chem. Chem. Phys. 2002, 4, 1093-1100
4. Venkatesan, T. S.; Ramesh, S. G.; Lan, Z.; Domcke, W. Theoretical Analysis of Photoinduced H-Atom Elimination in Thiophenol J. Chem. Phys. 2012, 136, 174312
5. Elles, C. G.; Crim, F. F. Connecting Chemical Dynamics in Gases and Liquids Annu. Rev. Phys. Chem. 2006, 57, 273-302
6. Oliver, T. A. A.; Zhang, Y.; Ashfold, M. N. R.; Bradforth, S. E. Linking Photochemistry in the Gas and Solution Phase: S-H Bond Fission in p -Methylthiophenol Following UV Photoexcitation Faraday Discuss. 2011, 150, 439-458
7. Zhang, Y.; Oliver, T. A. A.; Ashfold, M. N. R.; Bradforth, S. Contrasting the Excited State Reaction Pathways of Phenol and para -Methylthiophenol in the Gas and Liquid Phases Faraday Discuss. 2012, 157, 141-163
8. Oliver, T. A. A.; King, G. A.; Tew, D. P.; Dixon, R. N.; Ashfold, M. N. R. Controlling Electronic Product Branching at Conical Intersections in the UV Photolysis of para -Substituted Thiophenols J. Phys. Chem. A 2012, 10.1021/jp308804d
9. Roberts, G. M.; Hadden, D. J.; Bergendahl, L. T.; Wenge, A. M.; Harris, S. J.; Karsili, T. N. V.; Ashfold, M. N. R.; Paterson, M. J.; Stavros, V. G. Exploring quantum phenomena and vibrational control in σ* mediated photochemistry Chem. Sci. 2012, 10.1039/C2SC21865H
10. Berberan-Santos, M. N.; Martinho, J. M. G. The Integration of Kinetic Rate Equations by Matrix Methods J. Chem. Educ. 1990, 67, 375-379
11. Lim, J. S.; Kim, S. K. Experimental Probing of Conical Intersection Dynamics in the Photodissociation of Thioanisole Nat. Chem. 2010, 2, 627-632
12. Greetham, G. M.; Burgos, P.; Cao, Q.; Clark, I. P.; Codd, P. S.; Farrow, R. C.; George, M. W.; Kogimtzis, M.; Matousek, P.; Parker, A. W. ULTRA: a Unique Instrument for Time-Resolved Spectroscopy Appl. Spectrosc. 2010, 64, 1311-1319
13. Werner, H.-J.; Knowles, P. J.; Lindh, R.; Manby, F. R.; Schütz, M.; Celani, P.; Korona, T.; Mitrushenkov, A.; Rauhut, G.; Adler, T. B.;. MOLPRO, version 2010.1, A Package of Ab Initio Programs, 2010. http://www.molpro.net.