The complete basis set Full-CI roto-vibrational spectroscopic constants of AlH, \(\hbox {AlH}^{+}\) and \(\hbox {AlH}^{-}\)

  • Francesco Ferrante
  • Antonio Prestianni
  • Nerina Armata
Regular Article
  • 101 Downloads

Abstract

The spectroscopic constants of AlH, \(\hbox {AlH}^{+}\) and \(\hbox {AlH}^{-}\), as well as their counterparts with H/D isotopic substitution, were obtained at the frozen core Full-CI/CBS limit and corrected for the core-correlation, relativistic and diagonal Born–Oppenheimer contributions, calculated by means of different high-level computational methods. On the basis of the obtained values, some accepted experimental result for these astrochemically relevant species is questioned.

Keywords

Aluminum hydrides Roto-vibrational spectroscopy Astrochemistry 

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Copyright information

© Springer-Verlag Berlin Heidelberg 2016

Authors and Affiliations

  • Francesco Ferrante
    • 1
  • Antonio Prestianni
    • 1
  • Nerina Armata
    • 1
  1. 1.Dipartimento di Fisica e ChimicaUniversità degli Studi di PalermoPalermoItaly

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