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Efficient strategies that allow the preparation of molecular systems inparticular vibrational states are important in the application of quantumcontrol schemes to chemical reactions. In this paper, we propose thepreparation of quasi--bound vibrational states of the collinear transitionstate complex $\ce{BrHBr}$, from vibrational states of the bihalide ion$\ce{BrHBr-}$, that favor the bond selective breakage of $\ce{BrHBr}$. Theresults shown complement the investigation that we reported in a previouspaper, [A. J. Garz\'on-Ram\'irez, J. G. L\'opez and C. A. Arango, \textit{Int.J. Quantum Chem.}, 2018, \textbf{24}, e25784], in which we demonstrated thefeasibility of controlling the bond selective decomposition of the collinearBrHBr using linear combinations of reactive resonances. We employed a dipolemoment surface, calculated at the QCISD/\textit{d-aug-cc-pVTZ} level of theory,to simulate the interaction of the $\ce{BrHBr-}$ ground vibrational state withheuristically optimized sequences of ultrashort infrared linear chirped laserpulses to achieve a target vibrational state, resulting from expanding a chosenlinear combination of reactive resonances of BrHBr in terms of vibrationaleigenstates of $\ce{BrHBr-}$. The results of our simulations show final statesthat capture the most relevant features of the target state with differentlevels of description depending on the sequence of laser pulses employed. Wealso discuss ways of improving the description of the target state and possiblelimitations of our approach.

Preparation of Vibrational Quasi-Bound States of the Transition State Complex BrHBr from the Bihalide Ion BrHBr-}