Molecular structure of N‐Trifluoroacetylpiperidine 1 and 4‐Methylpyridine‐N‐Oxide studied by Gas Electron Diffraction and Quantum Chemical Calculations
Abstract:Molecular structures of N-Trifluoroacetylpiperidine 1 and 4-Methylpyridine-N-oxide 2 are studied by gas-phase electron diffraction/mass spectrometry (GED / MS) and quantum chemical (QC) calculations. The strong conjugation of the electron lone pair on the nitrogen atom and the double bond of the carbonyl cause molecule 1 to exist solely in the form of structure whereby the trifluoroacetyl group is in an intermediate position. As regards compound 2, the results of quantum chemical calculations and GED showed th… Show more
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