Spectroscopic investigations of hydrogen bonding interactions in the gas phase. II. The determination of the geometry and potential constants of the hydrogen-bonded heterodimer CH 3 CN • • • HF from its microwave rotational spectrum
- 12 March 1980
- journal article
- Published by The Royal Society in Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences
- Vol. 370 (1741), 239-255
- https://doi.org/10.1098/rspa.1980.0031
Abstract
The microwave rotational spectrum of the hydrogen-bonded heterodimer CH$_3$CN $\cdots$ HF has been identified and shown to be characteristic of a symmetric top. A detailed analysis of several rotational transitions for a variety of isotopic species gives the spectroscopic constants summarized in the following table: Rotational constants/MHz, vibration-rotation constants/MHz and vibrational separations/cm$^{-1}$ of CH$_3$CN $\cdots$ HF The following parameters of the molecular potential function of CH$_3$CN $\cdots$ HF have been evaluated using the spectroscopic constants tabulated above: r$_0$(N $\cdots$ F) values and force constants of CH$_3$CN $\cdots$ HF.
Keywords
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- Spectroscopic investigations of hydrogen bonding interactions in the gas phase. I. The determination of the geometry, dissociation energy, potential constants and electric dipole moment of the hydrogen-bonded heterodimer HCN • • • HF from its microwave rotational spectrumProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1980