Structures of hydrogen-containing molecules

It is reasonable to apply the r procedure to hydrogen-containing molecules. If the procedure is applied directly as described for HCN 

Actually, of course, the results of Table 17 are not surprising. We have previously pointed out in Table 14 that Ig/lQ is not constant for D- HorH- T substitutions. Generally, what is found is 

TABLE 17. structures of hydrogen-containing molecules with no 

Based upon results of this type, which were also supported by model force-field computations [6], it was clear that a special 

Berry and Harmony [7]. What is required is that the values for those isotopomers of the SDS involving H D substitutions be corrected by an amount that is equivalent to a translation of the D atom by a distance of Sr along die C-D axis as shown in Fig. 4 for the linear and for any general molecule. In the linear molecule case, for the substitution of H by D (as in HCN, say), die correction takes the form 

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TABLE 18. structures of hydrogen-containing molecules with corrections for H -> D substitutions . 

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