Abstract
The radical complex OH-H 2O has been observed by rotational spectroscopy. Spectra for 16OH- 16OH 2 and 18OH- 18OH 2 have been analyzed using a two-state model which accounts for nuclear motion on both the 2A′ and 2A″ potential surfaces. Partial quenching of the OH orbital angular momentum dramatically affects the rotational spectra, and the 2A′- 2A″ energy separation, ρ, is determined to be -146.50744(42) cm -1. The ground state of the complex has ∼86% 2A′ character and the vibrationally averaged OH-OH 2 hydrogen bond distance is 1.952 Å. The magnetic hyperfine constants for the OH proton in the complex are significantly altered from monomer values.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 420-425 |
| Number of pages | 6 |
| Journal | Chemical Physics Letters |
| Volume | 401 |
| Issue number | 4-6 |
| DOIs | |
| State | Published - Jan 11 2005 |
Bibliographical note
Funding Information:This work was supported by National Science Foundation grants to the University of Minnesota and Amherst College. M.D.M. and H.O.L. thank their hosts at the University of Minnesota for their hospitality. MDM additionally thanks the H. Axel Schupf ’57 Fund for Intellectual Life for partial support of this visit, and HOL acknowledges the support of a Henry Dreyfus Teacher-Scholar Award. The authors are also grateful to Mr. Matt Craddock for his help and to Prof. Don Truhlar for his valuable insights.