Figure 4.

Relationship between $P_{\mathrm{p}}\left(\mathrm{RT}\right){\left|\partial ⟨{\mathrm{\Psi }}_0^{1\left(0\right)}\left|\overline{H_{\mathrm{SO}}}\right|{\mathrm{\Psi }}_1^{3\left(0\right)}⟩\mathrm{/}\partial Q_{\mathrm{p}}\right|}^2$ and ω_p for a) Si(C₆H₅)₄ and b) Ge(C₆H₅)₄ monomers. Conformations including normal vibration modes were optimized at T₁ using density functional theory (Gaussian09/B3LYP/6‐31G(d)). SOC data were treated as perturbations based on the scalar relativistic orbitals. Hybrid‐B3LYP and TZP were used as exchange‐correlation functionals and the Slater‐type all‐electron basis set, respectively.