@misc{bondi_quantitative_assessment_2022, 
author={Bondi, L., Garden, A., Totti, F., Jerabek, P., Brooker, S.},
title={Quantitative Assessment of Ligand Substituent Effects on σ- and π-Contributions to Fe−N Bonds in Spin Crossover FeII Complexes},
year={2022},
howpublished = {journal article},
doi = {https://doi.org/10.1002/chem.202104314},
abstract = {T1/2 values in this family of complexes, consistent with the calculated MO energy levels, that M→L π-backdonation dominates in these M−L bonds. Here the quantitative EDA-NOCV analysis of the M−L bond contributions provides a more complete, coherent and detailed picture of the relative impact of M−L σ-versus π-bonding in determining the observed T1/2, refining the earlier interpretation and revealing the importance of the σ-bonding. Furthermore, our results are in perfect agreement with the ΔE(HS-LS) vs. σp+(X) correlation reported in their work.},
note = {Online available at: \url{https://doi.org/10.1002/chem.202104314} (DOI). Bondi, L.; Garden, A.; Totti, F.; Jerabek, P.; Brooker, S.: Quantitative Assessment of Ligand Substituent Effects on σ- and π-Contributions to Fe−N Bonds in Spin Crossover FeII Complexes. Chemistry - A European Journal. 2022. vol. 28, no. 22, e202104314. DOI: 10.1002/chem.202104314}}