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- W2014928692 abstract "Integrated experimental and computational results help to clarify the nature of the intermolecular interactions in a simple, isolated π-stacked dimer prepared in a molecular beam. The properties of bimolecular anisole complexes are examined and discussed in terms of the local/supramolecular nature of the electronic wavefunctions. Experimental resonance-enhanced multi-photon ionization spectra of clusters with different isotopic compositions confirmed the fundamentally localized nature of the S1 ← S0 electronic transition. A detail analysis of the experimental results however shows the existence of non-negligible excitonic coupling for the excited-state wavefunctions leading to the doubling of the single-molecule vibronic levels in the S1 state, with a splitting of about 30 cm−1. Theoretical simulation of the vibrationally resolved electronic spectra and computations of the excitonic coupling convincingly support the experimental findings. The overall combined experimental/theoretical study allows a detailed description of the stacking interaction in the anisole dimer." @default.
- W2014928692 created "2016-06-24" @default.
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- W2014928692 date "2010-01-01" @default.
- W2014928692 modified "2023-10-16" @default.
- W2014928692 title "Integrated experimental and computational spectroscopy study on π-stacking interaction: the anisole dimer" @default.
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- W2014928692 doi "https://doi.org/10.1039/c002992k" @default.
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