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• W2016050915 abstract "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." @default.
• W2016050915 created "2016-06-24" @default.
• W2016050915 creator A5047664796 @default.
• W2016050915 creator A5048765590 @default.
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• W2016050915 date "2009-07-16" @default.
• W2016050915 modified "2023-09-30" @default.
• W2016050915 title "Quantum dynamical simulations for nuclear spin selective laser control of <i>ortho</i>- and <i>para</i>-fulvene" @default.
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• W2016050915 doi "https://doi.org/10.1063/1.3175800" @default.
• W2016050915 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19624195" @default.
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