THE NORMAL COORDINATE AND INFRARED SPECTRAL ANALYSIS OF NITROSYLCYANIDE
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Date
1974
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Ohio State University
Abstract
The synthesis of nitrosylcyanide NC--NO has been described recently. The current report deals with a determination of the vibrational fundamentals of the compound. The molecule is planar but non-linear and has $C_{1v}$ symmetry. There are five $A^{\prime}$ fundamentals and one $A^{\prime}$ fundamental, all of which are IR and Raman allowed. The normal coordinate analysis using the Wilson FG Matrix, method has resulted in the calculation of the $A^{\prime}$ fundamental frequencies at $2376.4 cm^{-1}$ ($C\equiv $N stretch), $1052.7 cm^{-1}$ ($C - N$ stretch) $1466.5 cm^{-1}$ ($N = O$ stretch), and the A vibration at $54 cm^{-1}$ ($N \equiv C - N$ out-of-plane vibration). The calculations of the remaining $A^{\prime}$ fundamentals ($N \equiv C - N$ and $C - N = O$ angle deformations) are currently being refined. The values of the diagonal force constants used in the calculations are as follows: [FIGURE] The calculated frequencies compare very well with the three frequencies that have been determined spectroscopically. These frequencies are $2180 cm^{-1}$ ($C \equiv N$ stretch) $819 cm^{-1}$ ($C - M$ stretch) and $1500 cm^{-1}$ ($N = 0$ stretch).
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Author Institution: Department of Aero-Mechanical, Engineering Air Force Institute of Technology