Studies on rotational spectra of the ground states of ZnO, ZnS, SiSe and SiTe isotopic molecules using an isotopic error compensation approach

Abstract

Accurate rotational spectra of 28 isotopologues of the ground electronic states of ZnO, ZnS, SiSe and SiTe are studied using an effective isotopic error compensation (IEC) approach. More than 200 new rotational transition frequencies are predicted for 20 of the above isotopologues using high-precision experimental data of the relevant isotopologues. The results show that the IEC approach can produce far more accurate rotational transition frequencies than the semi-classical isotope relation if the Born–Oppenheimer breakdown correction coefficients are ignored.