Microwave spectrum of N2D4, 14N quadrupole coupling constants,and the barrier to inversion of the amino group |
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Authors: | Marlin D. Harmony Paul A. Baron |
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Affiliation: | Department of Chemistry, University of Kansas, Lawrence, Kansas 66045 U.S.A. |
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Abstract: | The microwave spectrum of N2D4 has been observed and analyzed. Based on five low-J rotational transitions the effective rotational constants are: A = 74712.9 ± 1.9 MHz, B = 18500.42 ± 0.46 MHz, and C = 18439.91 ± 0.46 MHz. The quadrupole coupling constants of the 14N nuclei are Xaa = 4.23 ± 0.04 MHz, Xbb = 1.98 ± 0.05 MHz, and Xcc = ?2.25 ± 0.05 MHz. Using the observed ground state inversion splittings for N2D4 and N2H4 the barrier to inversion of a single amino group is computed to be 5.00 kcal mol?1. |
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Keywords: | Present address: NIOSH 4676 Columbia Parkway Cincinnati Ohio 45226 U.S.A.. |
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