The rotational spectrum and structure of NH3-HCN

G. T. Fraser, K. R. Leopold, D. D. Nelson, A. Tung, W. Klemperer

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The microwave spectrum of H3N-HCN has been measured using the molecular beam electric resonance technique. A symmetric top spectrum is observed and the following spectroscopic constants were obtained: B 0(MHz) 3016.756 1(24) DJ(kHz) 5.68(30) DJK(Mhz) 0.418 22(76) eQq1+eQq2/2(MHz) -3.929 4(46) eQq 1-eQq2/2(MHz) -0.584(16) μ(D) 5.260 8(55) eQq 1 and eQq2 are the quadrupole coupling constants associated with the 14N nuclei of HCN and NH3, respectively. The induced dipole moment is 0.939(12) D and the N-H weak bond length is 2.156(10)Å. The average bending angle of the NH3 subunit is 20.40(26)° while that of the HCN subunit is 9.56(37)°. The force constant for the weak bond stretch is 0.122(6) mdyn/Å corresponding to a stretching frequency of 141(3) cm-1.

Original languageEnglish (US)
Pages (from-to)3073-3077
Number of pages5
JournalThe Journal of chemical physics
Issue number7
StatePublished - 1984


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