ChemPhysChem · 2009 · 54 citations · 24 references
Natural SciencesChemistryPhysicsCondensed Matter PhysicsMolecular PhysicsSpectroscopyHydrogen AtomMolecular Energy LevelsMolecular InteractionsQuantum TunnelingDissipative DynamicsDissipative MechanismsDissipative ProcessesEmission SpectraFluorescence Emission SpectraFluorescence Excitation SpectraLight Emission SpectraMechanistic Isotope Effects
Intramolecular double-hydrogen tunneling in porphycene (see picture) is investigated. Low-temperature conditions are ensured by doping of single molecules into superfluid helium nanodroplets. The investigation of fluorescence excitation and dispersed emission spectra and the highly dissipative environment allows the observation of mode-selective tunneling splitting and reveals a purely concerted tunneling mechanism for all isotopic variants of porphycene.
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Efficient molecular numerical integration schemes
Oliver Treutler, Reinhart Ahlrichs · The Journal of Chemical Physics · 1995 · 2.5K citations
Natural Sciences, Chemistry, Physics +17
Porphycene—a Novel Porphin Isomer
Emanuel Vogel, Matthias Köcher, Hans Schmickler et al. · Angewandte Chemie International Edition in English · 1986 · 511 citations