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The equilibrium C-H bond length
Authors:Demaison  Jean  Wlodarczak  Georges
Institution:(1) Laboratoire de Spectroscopie Hertzienne, URA CNRS 249, Université de Lille I, P5, 59655 Villeneuve d'Ascq Cedex, France
Abstract:The equilibrium C-H bond length has been determined up to now for about 40 polyatomic molecules. These data are used to demonstrate the existence of quantitative correlations betweenr e(C-H), isolated C-H bond stretching frequency and average distancer g. It is also shown that ab initio calculations are often reliable to calculate the absolute value ofr e(C-H), if an empirical correction is made. Some other correlations are also discussed. Finally, accurater e(C-H) values are predicted for simple molecules.
Keywords:Structure correlations  r e(C-H)  r e(C-H)  ab initio MO calculations
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