Abstract
Quantum-chemical study (B3LYP*/6-311++G(d,p)) has shown that the Fe(II) complex containing the phenanthroline ligand with annelated chromene and dihydrobis(pyrazol-1-yl)borate anions is able to exhibit thermally induced spin crossover. The calculations predict that the magnetic properties of this compound can be controlled by irradiation (LIESST and LD LISC effects).
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