Literature DB >> 16999481

Radical SBr: a challenge to spectroscopists?

Fernando R Ornellas1.   

Abstract

A theoretical description of the electronic states of the SBr radical at a high level of correlation effects treatment is presented for the first time. Most of its potential energy curves have a repulsive nature, but a set of bound (2)Pi states should provide a means for the experimental characterization of this species. The ground state can support over 40 vibrational states, but transitions from the 2 (2)Pi state, with a very shallow well (four levels), should have intensities spread over a maximum around v(")=10; lower vibrational levels can only be accessed for transitions from two high-lying Rydberg states. A whole set of spectroscopic constants, including vibrationally averaged spin-orbit coupling constants, and radiative transition probabilities and lifetimes quantify the theoretical description, thus supplying reliable results to guide the experimental investigation of this species.

Year:  2006        PMID: 16999481     DOI: 10.1063/1.2353827

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


  1 in total

1.  Exploring the potential energy surface of novel [H, S, Se, Br] species: a high level first principle study.

Authors:  S U A Ramjauny; I A Alswaidan; N B Jaufeerally-Safee; L Rhyman; P Ramasami
Journal:  J Mol Model       Date:  2017-07-20       Impact factor: 1.810

  1 in total

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