Force Constants and Normal Vibrations of the Propargyl Halides
作者： Giuseppe Zerbi , Mariangela Gussoni
DOI: 10.1063/1.1725889
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摘要: Several modifications of a Urey—Bradley field combined with valence force have been used for the calculation normal coordinates propargyl halides CH2X–C≡C–H (X=F, Cl, Br, I). The constants obtained by least‐squares method compared in terms structural changes introduced halogen atom. A kinetic effect seems to account splitting –C≡C–H in‐plane and out‐of‐plane bending modes.
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