ON DOUBLE-MINIMUM POTENTIALS IN HYDROGEN BONDED SOLIDS
Abstract
Using a simple one-dimensional model of H bonds, vibrational energy eigenvalues, eigenfunctions, transition moments and absorption intensities are calculated for a series of symmetric and asymmetric double-minimum (D.M.) potentials. On the basis of the results obtained, the necessary requirements for observing doublets in the IR spectra of H-bonded solids are given. Certain misconceptions about the relation between D.M. potentials and IR spectra are cleared up. Attention is drawn to the rapid switch-over from even-odd, odd-even to left-le t, right-right selection rules when introducing a slight asymmetry into a symmetric D.M. potential. Also, a very rapid uncoupling of resonance interaction between accidentally coincident left and right levels of strongly asymmetric D.M. potentials is predicted. The importance of obtaining accurate relative intensity values, of determining the infrared and Raman spectra of both the H-bonded solids and their deuterated analogs at different temperatures and investigating the low frequency region of a spectrum is emphasized. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Sep 01, 1961
- Accession Number
- AD0262802
Entities
People
- D. F. Hornig
- R. L. Somorjai
Organizations
- Princeton University