7-Hydroxyquinoline·(NH3)3: A Model for Excited State H-Atom Transfer Along an Ammonia Wire
Keywords:Ammonia wire, Cis and casscf calculations, Excited state, Hydrogen transfer, Molecular beam
AbstractThe 7-hydroxyquinoline·(NH3)3 cluster has been used as a model to study excited state H-atom transfer along a hydrogen-bonded NH3…NH3…NH3 wire. Excitation of the supersonically cooled cluster to its vibrationless S1 state produces no reaction, whereas excitation of ammonia-wire vibrations induces fluorescence of the excited 7-ketoquinoline·(NH3)3 cluster, revealing the excited state enol ? keto tautomerization. This reaction is assumed to occur via successive H transfers along the ammonia wire in a Grotthus-like process. Ab initio calculations of the reaction path show that proton and electron movement along the wire are closely coupled. The rate-controlling S1 state barriers arise from crossing of a ??* and a Rydberg-type ??* electronic excited state.
How to Cite
C. Tanner, C. Manca, S. Leutwyler, Chimia 2004, 58, 234, DOI: 10.2533/000942904777678037.
Copyright (c) 2004 Swiss Chemical Society
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