NUCLEAR QUADRUPOLE INTERACTION, MICROWAVE SPECTRUM AND STRUCTURE OF 1-CHLOROAZIRIDINE

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1966

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Ohio State University

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The microwave spectra of CH2CH2NCl35,CH2CH2NCl37, and C13H2CH2NCl35 have been investigated under high resolution. From the effective moments of inertia of these isotopic species the following structural parameters were determined: Cl-N distance =1.754±0.006\AA, C-N distance =1.489±0.006\AA, C-C distance =1.481±0.001\AA, C-H distance =1.074±0.01\AA,(CNC)−(NCl) angle =114.12±0.5, (HCH)-(CC) angle =155.3±3, and (HCH) angle ±112.9±3. The diagonal quadrupole coupling constants for the nitrogen nucleus and the complete coupling constant tensor for Cl33 were also determined. The latter, by its relationship to the molecular structure, shows that the N-Cl bond is not bent within an experimental uncertainty of one degree of angle. An expression in terms of 3-j and 6-j symbols is given for the general matrix element of the interaction Hamiltonian in the I1JF1I2F coupling scheme.

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Author Institution: Department of Chemistry, University of California

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