Relativistic effects for the superheavy reaction Og + 2Ts2 → OgTs4 (Td or D4h): dramatic relativistic effects for atomization energy of superheavy Oganesson tetratennesside OgTs4 and prediction of the existence of tetrahedral OgTs4

@article{Malli2021RelativisticEF,
  title={Relativistic effects for the superheavy reaction Og + 2Ts2 → OgTs4 (Td or D4h): dramatic relativistic effects for atomization energy of superheavy Oganesson tetratennesside OgTs4 and prediction of the existence of tetrahedral OgTs4},
  author={Gulzari L. Malli and Martin Siegert and Luiz Guilherme M. Macedo and W. Loveland},
  journal={Theoretical Chemistry Accounts},
  year={2021},
  volume={140},
  pages={1-5}
}
Our all-electron fully relativistic Dirac–Fock (DF) and nonrelativistic (NR) Hartree–Fock SCF molecular calculations for the superheavy tetrahedral (Td) oganesson tetratennesside OgTs 4 predict atomization energies (A e ) of 7.45 and −11.21 eV, respectively. Our DF and NR calculations, however for the square planar (D 4h ) OgTs 4 predict atomization energies (A e ) of 6.34 and −8.56 eV, respectively. There are dramatic relativistic effects for the atomization energies of T d and D 4h OgTs 4 of… Expand

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