Zeitschrift für Naturforschung A · 1989 · 31 citations · 1 references
Natural SciencesChemistryQuantum ChemistrySpectroscopic AnalysisSpectroscopyAb Initio MethodsHyperfine StructureMicrowave SpectroscopyRotational SpectroscopyRotational StructureStructural ElucidationAb Initio CalculationsFourier Transform Microwave SpectroscopyHyperfine Structure In Rotational SpectraMolecular Rotational ConstantsNuclear Electric Quadrupole MomentNuclear Quadrupole CouplingNuclear Quadrupole MomentsQuadrupole Interaction
Abstract The 14 N nuclear quadrupole hyperfine structure in the rotational spectra of three isotopic species of methyl azide, CH 3 14 N 3 , CH 3 15 N 14 N 2 , and CH 3 14 N 2 15 N, has been resolved using microwave Fourier transform spectroscopy. The quadrupole coupling constants of 14 N at all three positions have been evaluated and are compared with those from an ab initio calculation in the literature. Since the spectra of the substituted species have been obtained for the first time, they have provided new structural information: the rotational constants are consistent with a structure in which the NNN chain is slightly bent.
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Journal of Molecular Structure · 1972 · 2.4K citations