EXPERIMENTAL SEPARATION OF TORSIONAL AND CHARGE REDISTRIBUTION EFFECTS IN ROTATIONAL SPECTRA OF HCN DIMERS$^{\ast}$
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Date
1987
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Publisher
Ohio State University
Abstract
We have determined $B_{O}$ and $D_{J}$ for the two $^{13}C$ monosubstituted dimers of $HC^{15}N$ and the two $DC^{14}N/HC^{15}N$ dimers. With previous results for several other isotopic species, 1,2 a full substitution structure has been obtained for HCN(1)-HCN(2). It leads to torsional amplitudes $e_{1}$ and $e_{2}$ of 13.6 and $9.3^{\circ}$ for the two monomers. A second determination, by fitting $B_{O}$ for six isotopic species, gives 13.7 and $8.7^{\circ}$. These values are used to separate torsional and charge redistribution effects upon the hyperfine interactions of D and $_{14}N$ in the dimers. For $^{14}N$, about 40\% of the difference in $x_{a}$ between HCN monomer and dimer is caused for both N(1) and N(2) by charge redistribution. The analysis will be described, also that for $X_{3}(D)$ and the C-D bond length in the dimer.
Description
$^{\ast}$Work supported by NSF and PRF. $^{1}$ L.W. Buxton, E.J. Campbell, and W. H. Flygare, Chem. Phys. 56, 399 (1981). $^{2}$ A. J. Filiery-Travis, A. C. Legon, L. C. Willoughby and A.D. Buckingham, Chem. Phys. Letters 102, 126 (1983).
Author Institution: Noyes Chemical Laboratory, University of Illinois
Author Institution: Noyes Chemical Laboratory, University of Illinois