Direct observation of ground-state product formation in a 1,3-cyclohexadiene ring-opening reaction

Journal of Physical Chemistry Letters

Volumn 6, Issue 3, 2015, Pages 343-346

  Adachi, Shunsuke ^a,b   Sato, Motoki ^a   Suzuki, Toshinori ^a,b  

^a KYOTO UNIVERSITY   (Japan)

^b Institute of Physical and Chemical Research   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

GASES; KINETIC ENERGY; KINETICS; PHOTOELECTRON SPECTROSCOPY; PHOTOELECTRONS; PHOTONS;

1 ,3-CYCLOHEXADIENE; DIRECT OBSERVATIONS; ELECTRONIC GROUND STATE; EXPERIMENTAL VALUES; PHOTOELECTRON IMAGING; PHOTOELECTRON KINETIC ENERGY; RING OPENING REACTION; THEORETICAL VALUES;

GROUND STATE;

1,3,5-HEXATRIENE; 1,3-CYCLOHEXADIENE; CYCLOHEXENE DERIVATIVE; GAS; POLYENE;

CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ELECTRON; GAS; X RAY PHOTOELECTRON SPECTROSCOPY;

CYCLOHEXENES; ELECTRONS; GASES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PHOTOELECTRON SPECTROSCOPY; POLYENES;

EID: 84922529528     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz502487r     Document Type: Article

References (19)

1. Deb, S.; Weber, P. M. The Ultrafast Pathway of Photon-Induced Electrocyclic Ring-Opening Reactions: The Case of 1,3-Cyclohexadiene. Annu. Rev. Phys. Chem. 2011, 62, 19-39.
2. Kuthirummal, N.; Rudakov, F.; Evans, C. L.; Weber, P. M. Spectroscopy and Femtosecond Dynamics of the Ring Opening Reaction of 1,3-Cyclohexadiene. J. Chem. Phys. 2006, 125, 133307.
3. Fuß, W.; Schmid, W. E.; Trushin, S. A. Time-Resolved Dissociative Intense-Laser Field Ionization for Probing Dynamics: Femtosecond Photochemical Ring Opening of 1,3-Cyclohexadiene. J. Chem. Phys. 2000, 112, 8347-8362.
4. Garavelli, M.; Page, C. S.; Celani, P.; Olivucci, M.; Schmid, W. E. Reaction Path of a Sub-200 fs Photochemical Electrocyclic Reaction. J. Phys. Chem. A 2001, 105, 4458-4469.
5. Celani, P.; Ottani, S.; Olivucci, M.; Bernardi, F.; Robb, M. What Happens during the Picosecond Lifetime of 2A1 Cyclohexa-1,3-diene? A CAS-SCF Study of the Cyclohexadiene/Hexatriene Photochemical Interconversion. J. Am. Chem. Soc. 1994, 116, 10141-10151.
6. Tamura, H.; Nanbu, S.; Ishida, T.; Nakamura, H. Ab Initio Nonadiabatic Quantum Dynamics of Cyclohexadiene/Hexatriene Ultrafast Photoisomerization. J. Chem. Phys. 2006, 124, 084313.
7. Tapavicza, E.; Bellchambers, G. D.; Vincent, J. C.; Furche, F. Ab Initio Non-Adiabatic Molecular Dynamics. Phys. Chem. Chem. Phys. 2013, 15, 18336-18348.
8. Arruda, B.; Sension, R. Ultrafast Polyene Dynamics: The Ring Opening of 1,3-Cyclohexadiene Derivatives. Phys. Chem. Chem. Phys. 2014, 16, 4439-4455.
9. Ruan, C.-Y.; Lobastov, V. A.; Srinivasan, R.; Goodson, B. M.; Ihee, H.; Zewail, A. H. Ultrafast Diffraction and Structural Dynamics: The Nature of Complex Molecules Far from Equilibrium. Proc. Natl. Acad. Sci. U.S.A. 2001, 98, 7117-7122.
10. Rudakov, F.; Weber, P. M. Ground State Recovery and Molecular Structure upon Ultrafast Transition through Conical Intersections in Cyclic Dienes. Chem. Phys. Lett. 2009, 470, 187-190.
11. Minnaard, N. G.; Havinga, E. Some Aspects of the Solution Photochemistry of 1,3-Cyclohexadiene, (Z)- and (E)-1,3,5-Hexatriene. Recl. Trav. Chim. Pays. Bas. 1973, 92, 1315-1320.
12. Pullen, S. H.; Anderson, N. A.; Walker, L. A., II; Sension, R. J. The Ultrafast Photochemical Ring-Opening Reaction of 1,3-Cyclohexadiene in Cyclohexane. J. Chem. Phys. 1998, 108, 556-563.
13. Pollard, W. T.; Dexheimer, S. L.; Wang, Q.; Peteanu, L. A.; Shank, C. V.; Mathies, R. A. Theory of Dynamic Absorption Spectroscopy of Nonstationary States. 4. Application to 12-fs Resonant Impulsive Raman Spectroscopy of Bacteriorhodopsin. J. Phys. Chem. 1992, 96, 6147-6158.
14. Kimura, K. Handbook of HeI Photoelectron Spectra of Fundamental Organic Molecules; Japan Scientific Societies Press: Tokyo, Japan, 1981.
15. Beez, M.; Bieri, G.; Bock, H.; Heilbronner, E. The Ionization Potentials of Butadiene, Hexatriene, and Their Methyl Derivatives: Evidence for Through Space Interaction between Double Bond π-Orbitals and Non-bonded Pseudo-π Orbitals of Methyl Groups? Helv. Chim. Acta 1973, 56, 1028-1046.
16. Kotur, M.; Weinacht, T.; Pearson, B. J.; Matsika, S. Closed-Loop Learning Control of Isomerization Using Shaped Ultrafast Laser Pulses in the Deep Ultraviolet. J. Chem. Phys. 2009, 130, 134311.
17. Adachi, S.; Horio, T.; Suzuki, T. Generation of Intense Single-Order Harmonic Pulse in the Vacuum Ultraviolet Region Using a Deep Ultraviolet Driving Laser. Opt. Lett. 2012, 37, 2118-2120.
18. Garcia, G. A.; Nahon, L.; Powis, I. Two-Dimensional Charged Particle Image Inversion Using a Polar Basis Function Expansion. Rev. Sci. Instrum. 2004, 75, 4989-4996.
19. The LABVIEW-based pBASEX code was offered by Dr. Lionel Poisson.