Paula Pro

Exploringthe Ligand Chemical Space of the [Cr(TpmR)2]2+ Spin-Crossover Family

Abstract The electronic and steric factors that control the spin-crossover behavior in the [Cr(Tpm)2]2+ family (Tpm = tris(pyrazolyl)methane) have been investigated by means of density functional theory calculations. Systematic functionalization of the ligand framework reveals th...