Intersystem crossing (ISC), formally forbidden within nonrelativistic quantum theory, is the
mechanism by which a molecule changes its spin state. It plays an important role in the …

The state of art of the DFT description of charge-transfer electronic excited states of (mostly)
d6 transition metal complexes is presented and discussed. A brief theoretical background …

Abstract Rhenium (I)-carbonyl-diimine complexes have emerged as promising
photocatalysts for carbon dioxide reduction with covalent organic frameworks recognized as …

The storage of renewable energy through the conversion of CO2 to CO provides a viable
solution for the intermittent nature of these energy sources. The immobilization of rhenium (I) …

A series of new mixed‐ligand copper (i) complexes [Cu (NN) POP] BF4, where NN= 1, 10‐
phenanthroline (phen; 1a), 2, 9‐dimethyl‐phen (DMphen; 1b), 4, 7‐diphenyl‐phen (DPpehn; …

Quantum-chemistry methods were explored to investigate the electronic structures, injection
and transport properties, absorption and phosphorescence mechanism of a series of blue …

This review focuses on the photophysical properties of rhenium (I) tricarbonyl moieties of the
type [Re (CO) 3 (NN) L](where NN= polypyridyl ligand and L= chloride or nitrogen donor …

The photochemistry of fac‐[Re (bpy)(CO) 3Cl](1 a; bpy= 2, 2′‐bipyridine) initiated by
irradiation using< 330 nm light has been investigated. Isomerization proceeded in THF to …

This work focuses on new materials based on the addition of zinc as specifically metal
centers for the capture of NO 2 gas with DFT calculations. This study aims at the synthesis …

With the aim of studying the electronic and structural properties of metalloporphyrins, we first
prepared the 4-acetoxy-3-methoxy benzaldehyde (1) then by reaction this aldehyde with …