Dresden 2011 – scientific programme
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MO: Fachverband Molekülphysik
MO 24: Poster: Femtosecond spectroscopy
MO 24.7: Poster
Thursday, March 17, 2011, 16:00–18:00, P2
Vibrational (De)coherence of I2 in a Krypton Matrix — •Max Buchholz1, Christoph-Marian Goletz1, Frank Großmann1, Burkhard Schmidt2, Jan Heyda3, and Pavel Jungwirth3 — 1Technische Universität Dresden, Institut für Theoretische Physik, D-01062 Dresden, Germany — 2Freie Universität Berlin, Institut für Mathematik, Arnimallee 6, D-14195 Berlin-Dahlem — 3Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Prague 6, CZ-16610, Czech Republic
In four-wave mixing experiments on iodine in a krypton matrix in the Apkarian group [Segale et al, J. Chem. Phys. 122, 111104 (2005)], quantum coherent vibrations of the matrix phonon modes were observed which were interpreted as a Schrödinger cat-like superposition of macroscopically distinct states. Motivated by this finding, we study the photo-induced dynamics of an I2 molecule in the first micro-solvation shell comprising a Kr17 double icosahedron using numerical quantum-dynamic models. Quantities of interest are the reduced Wigner distribution and the purity of the I2 vibrations (system) as well as of several Kr (bath) modes. We are investigating signatures of the transfer of coherence from the system to the bath for a hierarchy of reduced dimensionality models comprising bath modes with different coupling to the system mode, thriving a cat-like state through quantum coherent dissipation. This work was partly supported by the DFG under projects GR 1210/4-1,2.