Literature DB >> 20499965

Potential energy and dipole moment surfaces of H(3) (-) molecule.

M Ayouz1, O Dulieu, R Guérout, J Robert, V Kokoouline.   

Abstract

A new potential energy surface for the electronic ground state of the simplest triatomic anion H(3) (-) is determined for a large number of geometries. Its accuracy is improved at short and large distances compared to previous studies. The permanent dipole moment surface of the state is also computed for the first time. Nine vibrational levels of H(3) (-) and 14 levels of D(3) (-) are obtained, bound by at most approximately 70 and approximately 126 cm(-1), respectively. These results should guide the spectroscopic search of the H(3) (-) ion in cold gases (below 100K) of molecular hydrogen in the presence of H(-) ions.

Entities:  

Year:  2010        PMID: 20499965     DOI: 10.1063/1.3424847

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  Synthesis of sodium polyhydrides at high pressures.

Authors:  Viktor V Struzhkin; Duck Young Kim; Elissaios Stavrou; Takaki Muramatsu; Ho-Kwang Mao; Chris J Pickard; Richard J Needs; Vitali B Prakapenka; Alexander F Goncharov
Journal:  Nat Commun       Date:  2016-07-28       Impact factor: 14.919

  1 in total

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