Conclusions
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1.
Calculations show that the frequency of the so-called multiple bond vibration of alkynes (ν C≡C) is highly characteristic; the derivative of the frequencyν C≡C with respect to the diagonal force constant of the multiple bond (KC≡C) is independent of the bending angle of the “acetylene linkage”α, and depends linearly on KC≡C. It would seem that these facts make it possible to estimate changes in the C≡C bond order upon complex formation, by examining theν C≡C frequency.
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2.
However,ν C≡C depends strongly, and nonlinearly at that, on the angleα, which is not known in the majority of compounds. Therefore, caution should be used in estimating the bond order of a coordinated alkyne from theν C≡C frequency in the IR spectrum.
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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 9, pp. 2114–2116, September, 1970.
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Gal'pern, E.G. The order of the multiple bond in transition metal acetylene complexes. Russ Chem Bull 19, 1987–1989 (1970). https://doi.org/10.1007/BF00849787
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DOI: https://doi.org/10.1007/BF00849787