High resolution spectroscopy of MgOH (X 2Σ+) in its V2 mode: Further evidence for quasilinearity

A. J. Apponi, M. A. Anderson, L. M. Ziurys

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30 Scopus citations


Pure rotational spectra of the MgOH and MgOD radicals have been recorded in the v2 bending vibration of their X 2Σ+ ground electronic states using millimeter-wave direct absorption spectroscopy. Multiple rotational transitions arising from the v12= 11, 22, 20, 31, 33, 42, and 44 substates have been measured in the frequency range 240-520 GHz for these species. Both the spin-rotation and l-type doubling interactions have been resolved in the spectra. The complete data sets for MgOH and MgOD have been analyzed using a linear model for the Hamiltonian which takes into account higher order (l=±4) l-type interactions. The global analyses were adequate, but anomalous behavior was apparent in both molecules. In particular, the Bv vs v2 relation was found to be highly nonlinear, large variations in the l-type doubling constant q were observed with vibrational level, and r0, rs, and r̃e structures determined differed substantially. Such findings suggest that MgOH is highly quasilinear, comparable to HNCO. The competition between ionic and covalent bonding is therefore becoming apparent in the lighter alkaline earth hydroxide species.

Original languageEnglish (US)
Pages (from-to)10919-10925
Number of pages7
JournalJournal of Chemical Physics
Issue number24
StatePublished - Dec 22 1999

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry


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