| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5415170 | Journal of Molecular Spectroscopy | 2011 | 6 Pages |
Abstract
⺠The microwave spectrum of o-vanillin was studied in a jet expansion. ⺠Three different conformations were detected in the spectrum. ⺠Intramolecular hydrogen bonding controls conformation. ⺠o-Vanillin prefers OHâ¯OC to OH···O hydrogen bonding interactions. ⺠Supporting ab initio (MP2) and DFT (B3LYP, M05-2X) calculations are provided.
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Authors
Emilio J. Cocinero, Alberto Lesarri, Patricia Ãcija, Francisco Basterretxea, José A. Fernández, Fernando Castaño,