MICROWAVE STUDIES OF ARGON COMPLEXES WITH FULMINIC ACID AND ISOCYANIC ACID
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Date
1994
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Publisher
Ohio State University
Abstract
Complexes of the structural isomers, HCNO (fulminic acid) and HNCO (isocyanic acid), with argon have been studied employing pulsed-beam Fourier-transform microwave spectrometers. Both complexes exhibit predominately b-type rotational transitions. Less intense a-type lines were also observed for the argon, isocyanic add complex. $^{1}4N$ hyperfine structure was resolved for Ar-HCNO. Ar-DCNG, Ar-HNCO and Ar-DNCO. The spectra wore fit to a semirigid asymmetric top Hamiltonian with one quadrupolar coupling nucleus. The spectroscopic constants obtained from the fits are: Ar-HCNO (in MHz), A = 11807.775(2), B = 2010.593(9), C = 1705.380(8), $\Delta J = 0.01581(4), \Delta JK = 0.2366(2). \Delta K = -0.0824(4), \delta J = 0.002451(6), \delta K = 0.177(4), \chi_{aa} = -0.130(6) and (\chi_{bb}-\chi_{cc}) = 0.358(8); Ar-HNCO (in MHz), A = 11224.568(1), B = 1937.6358(7), C = 1638-6614(4). \Delta J = 0.01470(1), \Delta JK = 0.3888(2), \Delta K = -0.3140(6), \delta J = 0.002464(4), \chi_{aa} = 0.946(4), and (\chi_{bb}-\chi_{cc}) = 3.101(7).$ Ar-HCNO is approximately T-shaped and the moments of inertia give an argon fulminic acid center of mass separation of $R_{cm}$ = 3.49{\AA} and an angle of $80.2^{\circ}$ between $R_{cm}$ and the molecular axis of fulminic add. The Ar-DCNO isotopic data indicate the oxygen is tilted toward argon. A similar structure is determined for Ar-HNCO From the moments of inertia of the normal isotopomer. In this complex, $R_{c}m$ = 3.56{\AA} and the analogous angle between $R_{cm}$ and the a inertial axis of isocyanic acid is $83.3^{\circ}$. The Ar-DNCQ isotopic data show the hydrogen is directed toward the argon atom and also pro vide support for a planar structure.
Description
Author Institution: Molecular Physics Division, National Institute of Standard and Technology