| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383270 | Chemical Physics Letters | 2012 | 5 Pages |
Abstract
⺠Two diabatic state Hamiltonian describes weak, low-barrier, and strong hydrogen bonds. ⺠Describes red (blue) shift of donor-hydrogen stretch (bend) with decreasing donor-acceptor distance. ⺠Describes correlation of D-H stretch frequency with difference between donor and acceptor proton affinity. ⺠Predicts UV photo-dissociation of strong H-bonded complexes via a 'twin' excited electronic state. ⺠Two parameter model quantitatively describes empirical correlations for wide range of H-bonded complexes.
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Authors
Ross H. McKenzie,