Quantum dynamical simulations for nuclear spin selective laser control of ortho- and para-fulvene

Journal Article · Tue Jul 21 00:00:00 EDT 2009 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.3175800· OSTI ID:21559738

Belz, S; Grohmann, T; Leibscher, M ^[1]

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1. Institut fuer Chemie und Biochemie, Freie Universitaet Berlin, Takustr. 3, 14195 Berlin (Germany)

In the present paper we explore the prospects for laser control of the photoinduced nonadiabatic dynamics of para- and ortho-fulvene with the help of quantum dynamical simulations. Previous investigations [Bearpark et al., J. Am. Chem. Soc. 118, 5253 (1996); Alfalah et al., J. Chem. Phys. 130, 124318 (2009)] show that photoisomerization of fulvene is hindered by ultrafast radiationless decay through a conical intersection at planar configuration. Here, we demonstrate that photoisomerization can nevertheless be initiated by damping unfavorable nuclear vibrations with properly designed laser pulses. Moreover, we show that the resulting intramolecular torsion is nuclear spin selective. The selectivity of the photoexcitation with respect to the nuclear spin isomers can be further enhanced by applying an optimized sequence of two laser pulses.

• OSTI ID: 21559738
• Journal Information: Journal of Chemical Physics, Vol. 131, Issue 3; Other Information: DOI: 10.1063/1.3175800; (c) 2009 American Institute of Physics; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
CONTROL
ISOMERIZATION
ISOMERS
LASERS
MECHANICS
ORGANIC COMPOUNDS
PHOTOCHEMISTRY
PULSES
RADIATIONLESS DECAY
REACTION KINETICS
SIMULATION
SPIN
TORSION
VIBRATIONAL STATES
ANGULAR MOMENTUM
CHEMICAL REACTIONS
CHEMISTRY
DE-EXCITATION
ENERGY LEVELS
ENERGY TRANSFER
ENERGY-LEVEL TRANSITIONS
EXCITED STATES
KINETICS
PARTICLE PROPERTIES