title: Is E112 a relatively inert element? Benchmark relativistic correlation study of spectroscopic constants in E112H and its cation.
abstract: We report the first results of relativistic correlation calculation of the spectroscopic properties for the ground state of E112H and its cation in which spin-orbit interaction is taken into account non-perturbatively. Studying the properties of E112 (eka-Hg) is required for chemical identification of its long-lived isotope, (283)112. It is shown that appropriate accounting for spin-orbit effects leads to dramatic impact on the properties of E112H whereas they are not so important for E112H(+). The calculated equilibrium distance, R(e) (calc)=1.662 Angstrom, in E112H is notably smaller than R(e) (expt)=(1.738+/-0.003) Angstrom and R(e) (calc)=1.738 Angstrom in HgH, whereas the dissociation energy, D(e) (calc)=0.42 eV, in E112H is close to D(e) (expt)=0.46 eV and D(e) (calc)=0.41 eV in HgH. These data are quite different from R(e) (NH)=1.829 Angstrom and D(e) (NH)=0.06 eV obtained for E112H within the scalar-relativistic Douglas-Kroll approximation. Our results indicate that E112 should not be expected to behave like a noble gas in contrast to the results by other authors.
authors.affiliation: Petersburg Nuclear Physics Institute, Gatchina, St. Petersburg District 188300, Russia. mosyagin@pnpi.spb.ru
authors.forename: N S
authors.initials: NS
authors.lastname: Mosyagin
authors.forename: T A
authors.initials: TA
authors.lastname: Isaev
authors.forename: A V
authors.initials: AV
authors.lastname: Titov