Theoretical Study of Spin Crossover in 30 Iron Complexes.


Iron complexes are important spin crossover (SCO) systems with vital roles in oxidative metabolism and promising technological potential. The SCO tendency depends on the free energy balance of high- and low-spin states, which again depends on physical effects such as dispersion, relativistic effects, and vibrational entropy. This work studied 30 different… (More)
DOI: 10.1021/acs.inorgchem.5b02371


Cite this paper

@article{Kepp2016TheoreticalSO, title={Theoretical Study of Spin Crossover in 30 Iron Complexes.}, author={Kasper P. Kepp}, journal={Inorganic chemistry}, year={2016}, volume={55 6}, pages={2717-27} }