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https://doi.org/10.1016/0009-2614(87)80123-9
Copy DOIJournal: Chemical Physics Letters | Publication Date: Aug 1, 1987 |
Citations: 46 |
B oand D j have been determined for H 13C 15N-HC 15N, HC 15N-H 13C 15N, HC 15N-DC 14N and DC 13N-HC 15N. From them and other, previous results a full substitution structure has been obtained for HCN(1)-HCN(2). It leads to torsional amplitudes θ 1 and θ 2 of 13.6 and 9.3° for the two monomers in the dimer. A determination by fitting B o for six isotopic species gives 13.7 and 8.7°. These values are used to separate torsional and charge redistribution effects upon the hyperfine interactions of 14N and D in the dimers. For 14N, about 40% of the difference in χ a between HCN monomer and dimer is caused by charge redistribution. The C-D bond length in the dimer is considered.
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