Structural change at the onset of microsolvation: Rotational spectroscopy of HCN⋯HCN-SO3

D. L. Fiacco, S. W. Hunt, K. R. Leopold

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The structure and dipole moment of HCN⋯HCN-SO3 have been determined by rotational spectroscopy. The N-S bond distance is 2.470(20) Å, which is 0.107(21) Å shorter than that in HCN-SO3. In contrast, the N⋯H distance, 2.213(29) Å, is the same to within experimental uncertainty as that in (HCN)2. The dipole moment of HC15N⋯HC15N-32SO3 is 8.640(19) D, representing an enhancement of 1.238(19) D over the sum of the dipole moments of HCN and HCN-SO3. The results indicate significant changes in the HCN-SO3 subunit upon interaction with a single HCN "solvent" molecule, with relatively little change in the HCN-HCN interaction. The hypersensitivity of the HCN-SO3 moiety to the presence of an additional HCN arises because the dative bond is partially formed, and we suggest that partially bound systems may offer sensitive probes of microsolvation.

Original languageEnglish (US)
Pages (from-to)8325-8327
Number of pages3
JournalJournal of Physical Chemistry A
Issue number36
StatePublished - Sep 14 2000

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