Spectroscopi c constants and molecular properties of Obr- and OCl-

There are a few rep orts on the e xperimental attempt to wards deter mination of spectroscopic constants and molecular properties of diatomic anions [۱,۲]. In this study, we have studie d the electronic structure, properties, and spe ctroscopic constants of two diato mic anions of astrophysical [۳] and laboratory interest.Computational methods:Ab initio calculation of the grou nd states p otential ener gy curves (PEC) of O Br- and OCl- are carried out at the QCIS D(T) level of theory with the aug-cc-pVQ Z basis se t. Rovibrational levels and spectro scpic prope rties have b een calculated based on these PEC s using LEVEL۸ prog ram coded by LeRoy [۴ ].

کلیدواژه ها:

Potential energy cur ves ، Diatomic anion ، Spectroscopic properties ، Obr- ، Ocl-