THE STABILITIES OF MULTIPLE BONDS. ESTIMATION OF MULTIPLE BOND DISSOCIATION ENERGIES FROM THERMOCHEMICAL AND STRETCHING FREQUENCY DATA
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Date
1970
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Ohio State University
Abstract
It is well known that at least in principle, the bond stretching force constant should be directly proportional to the bond dissociation energy. In polyatomic molecules it is no easy task to estimate force constants for individual bonds due to the interaction of the vibration in question with other vibrations in the molecule. In the present investigation, infrared and Raman multiple bond stretching frequencies from the literature are examined for $C=C$, $C\equiv $C, $C=O$, $C=N$ and $C\equiv $N. After appropriate correction for coupling and mass effects are applied, the corrected frequencies are used to estimate the dissociation energy for one of the bonds in the multiple bond e.g. $C=C\rightarrow \stackrel{\bullet}{C}-\stackrel{\bullet}{C}$ or $C\equiv C\rightarrow\stackrel{\bullet}{C}=\stackrel{\bullet}{C}$. A proportionality between various corrected C=C frequencies and the corresponding bond dissociation energies estimated from thermochemical data are utilized in this calculation. Where possible, the calculated values are compared with experimental values from the literature. The stabilities estimated for various multiple bonds will be examined.
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Author Institution: Department of Chemical Engineering and Chemistry, Newark College of Engineering Newark