Combined experimental and theoretical Ru 2p4d resonant inelastic X-ray scattering study probes the chemical bonding and the valence excited states of solvated Ru complexes.

A novel and highly sensitive nonenzymatic glucose biosensor was developed by nucleating colloidal silver nanoparticles (AgNPs) on MoS2. The facile fabrication method, high reproducibility (97.5%) and stability indicates a promising capability for large-scale manufacturing. Additionally, the excellent sensitivity (9044.6 μA·mM−1·cm−2), low detection limit (0.03 μM), appropriate linear range of 0.1–1000 μM, and high selectivity suggests that this biosensor has a great potential to be applied for noninvasive glucose detection in human body fluids, such as sweat and saliva.

We present a time-dependent density functional theory (TDDFT) approach to compute the light-matter couplings between two different manifolds of excited states relative to a common ground state in the context of 4d transition metal systems. These quantities are the necessary ingredients to solve the Kramers−Heisenberg (KH) equation for resonant inelastic X-ray scattering (RIXS) and several other types of two-photon spectroscopies. The procedure is based on the pseudo-wavefunction approach, where the solutions of a TDDFT calculation can be used to construct excited-state wavefunctions, and on the restricted energy window approach, where a manifold of excited states can be rigorously defined based on the energies of the occupied molecular orbitals involved in the excitation process. Thus, the present approach bypasses the need to solve the costly TDDFT quadratic-response equations. We illustrate the applicability of the method to 4d transition metal molecular complexes by calculating the 2p4d RIXS maps of three representative ruthenium complexes and comparing them to experimental results. The method can capture all the experimental features in all three complexes to allow the assignment of the experimental peaks, with relative energies correct to within ∼0.6 eV at the cost of two independent TDDFT calculations.