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.

Date Published: 17 June 1994
PDF: 16 pages
Proc. SPIE 2124, Laser Techniques for State-Selected and State-to-State Chemistry II, (17 June 1994); doi: 10.1117/12.178111

Published in SPIE Proceedings Vol. 2124:
Laser Techniques for State-Selected and State-to-State Chemistry II
John W. Hepburn, Editor(s)