Infrared photodissociation spectroscopy of co+(h2o)rg with he, ne, and ar rare gas tagging.
Marks, Joshua H.
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https://hdl.handle.net/2142/107532
Description
Title
Infrared photodissociation spectroscopy of co+(h2o)rg with he, ne, and ar rare gas tagging.
Author(s)
Marks, Joshua H.
Contributor(s)
Miliordos, Evangelos
Duncan, Michael A.
Issue Date
2020-06-25
Keyword(s)
Vibrational structure/frequencies
Abstract
Complexes of Co$^{+}$(H$_{2}$O) and Co$^{+}$(D$_{2}$O) are produced via laser vaporization of cobalt metal in a supersonic expansion of rare gas seeded with water. Infrared photodissociation spectroscopy is accomplished with the aid of rare gas tagging by He, Ne, or Ar. The effect of Co+ on the ortho-para nuclear spin statistics of H$_{2}$O and D$_{2}$O are investigated. The OH stretching frequencies of water were found to red shift by about 40 \wn, and the water bending mode was found to blue shift by 23 \wn. Rotational resolution was achieved for helium tagged water complex. The combined effect of spin-orbit coupling and spin-rotation coupling in these complexes is discussed and compared to the previously studied systems Sc$^{+}$(H$_{2}$O) and Ti$^{+}$(H$_{2}$O). Electronic structure calculations with CASSCF/cc-pVTZ were used to determine the single reference character of the ground electronic state. MN15/cc-pVTZ was used to compute vibrational frequencies.
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