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Relativistic effects on molecular structure: methyl derivatives of the fourth main-group elements

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Abstract

The compounds ZR4 with R=H, CH3, and Z=C, Si, Ge, Sn or Pb have been studied in high-quality Hartree-Fock calculations. Relativistic effects have been accounted for, using the Breit-Pauli Hamiltonian and first-order perturbation theory. Relativity causes a shortening of the Z-R distance of up to 10 pm in PbH4, whereas the effect on the breathing force constant is more complex.

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Almlof, J., Faegri, K. Relativistic effects on molecular structure: methyl derivatives of the fourth main-group elements. Theoret. Chim. Acta 69, 437–446 (1986). https://doi.org/10.1007/BF00526702

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