17 June 1994 Role of solvent and vibrations on proton tunneling in clusters
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In this paper we present a theoretical framework for describing the role of solvent and vibrations on proton tunneling rates. Recent experiments indicate that excited-state proton transfer in ROH(NH3)n clusters (where ROH is 1-naphthol or phenol) occurs by a tunneling mechanism. Two previous models of proton tunneling are examined; one based on a solvent-independent bound- continuum potential and the other on a solvent-activated bound-bound potential. Here we extend the latter model to incorporate coupling of the proton to reactant and product vibrations. All three models are compared to experimental tunneling rates in clusters.
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Jack A. Syage, Jack A. Syage, } "Role of solvent and vibrations on proton tunneling in clusters", Proc. SPIE 2124, Laser Techniques for State-Selected and State-to-State Chemistry II, (17 June 1994); doi: 10.1117/12.178111; https://doi.org/10.1117/12.178111

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