| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5418306 | Journal of Molecular Structure: THEOCHEM | 2006 | 4 Pages |
Abstract
The change in the vibrational anharmonic constant for the linear hydrogen-bonded complexes FHâ¯Rg, FArHâ¯Rg, FArHâ¯N2, FArHâ¯P2 (Rg=Ne, Ar, Kr) was determined at the MP2/6-311++G(3df,3pd) level of theory. It was found that in the vibrationally red-shifted complexes, hydrogen bond formation increases the anharmonic constant while in the vibrationally blue-shifted species (except FArHâ¯Ne) the anharmonic constant decreases on complexation.
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Authors
Sean A.C. McDowell,