Characterisation by rotational spectroscopy of a hydrogen-bonded dimer formed between H2O and HCN |
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Authors: | Annette J. Fillery-Travis A.C. Legon L.C. Willoughby |
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Affiliation: | Christopher Ingold Laboratories Department of Chemistry. University College London, 20 Gordon Street. London WC1H OAJ, UK |
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Abstract: | The rotational spectra in the vibrational ground states of (H2O, HC14N) and (H2O, HC15N) have been assigned in the frequency range 6–19 GHz. Values of rotational constants (BO, CO) and centrifugal distortion constants (ΔJ, ΔJK) have been determined for both species, while the 14N-nuclear quadrupole coupling constants xaa and xbb have been established for the first. Observations concerning additional hyperfine structure arising from H,H nuclear spin-nuclear spin coupling in the H2O subunit suggest that (H2O,HCN) has a pair of equivalent protons and is effectively planar in the zero-point state. Observed spectroscopic constants are consistent only with the arrangement H2O…HCN, with r(O…C) = 3.1387 Å. |
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