Open AccessEffects of the Wire Length on H-Atom Transfer in 7-Hydroxyquinoline·(NH3)n: n = 2 and 3
Author(s) -
Carine Manca,
Christian Tanner,
Samuel Leutwyler
Publication year - 2004
Publication title -
chimia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.387
H-Index - 55
eISSN - 2673-2424
pISSN - 0009-4293
DOI - 10.2533/000942904777677786
Subject(s) - excited state , chemistry , atom (system on chip) , hydrogen atom , excitation , cluster (spacecraft) , ammonia , atomic physics , 8 hydroxyquinoline , energy transfer , molecular physics , inorganic chemistry , physics , organic chemistry , quantum mechanics , computer science , alkyl , programming language , embedded system
Previously we have employed the 7-hydroxyquinoline·(NH3)n ammonia-wire clusters to study excited state H-atom transfer along a sequence of hydrogen bonds. H-atom transfer experimentally occurs for n = 4 excited to its vibrationless S1 state, for n = 3 with additional excitation of ammonia-wire vibrations (~200cm–1). However, for the n = 2 cluster, no reaction is observed, even with additional excitation energy of 900cm–1. CIS calculations have been performed on the n = 2 and n = 3 clusters to understand the effect of the wire length on the energy profile of the reaction. The enol ? keto reaction is always exoergic, and the barrier for H transfer to the proximal ammonia controls the reaction kinetics.