Figure S10: Theoretical signature obtained via the subtraction of simulated Ru K-edge Δµ XANES spectra of atop-HUPD on Ru6 cluster from adsorbate-free Ru6 cluster = Δµ - µ(Ru6-Clean) Further, several theoretical simulation were carried out using clean Ru6 cluster as the reference structure for simulating the theoretical signature. As can be seen in supplementary Figure S7 Δµ the theoretical fits in this case were unsuccessful and did not predict the experimentally Δµ observed signatures. Δµ
Figure S10: Theoretical Δµ signature obtained via the subtraction of simulated Ru K-edge XANES spectra of atop-HUPD on Ru6 cluster from adsorbate-free Ru6 cluster Δµ = - µ(Ru6-Clean) Further, several theoretical simulation were carried out using clean Ru6 cluster as the reference structure for simulating the theoretical Δµ signature. As can be seen in supplementary Figure S7 the theoretical Δµ fits in this case were unsuccessful and did not predict the experimentally observed Δµ signatures.