Variable-Temperature Studies of Laser-Initiated5T2→1A1Intersystem Crossing in Spin-Crossover Complexes: Empirical Correlations between Activation Parameters and Ligand Structure in a Series of Polypyridyl Ferrous Complexes
Using fully internally contracted (FIC)-CASPT2 analytical gradients, geometry optimizations of spin-crossover complexes are reported. This approach is tested on a series of Fe(II) complexes with different sizes, ranging from 13...
Mononuclear spin-crossover complexes of dihydroquinazoline derivatives were synthesized to enable the spin crossover phenomenon via the variation of the solvent, anion and substituent.