Rare and Nonexistent Nitrosyls: Periodic Trends and Relativistic Effects in Ruthenium and Osmium Porphyrin-Based {MNO} Complexes.

Author(s) Demissie, T.B.; Conradie, J.; Vazquez-Lima, H.; Ruud, K.; Ghosh, A.
Journal ACS Omega
Date Published 2018 Sep 30

Relativistic and nonrelativistic density functional theory calculations were used to investigate rare or nonexistent ruthenium and osmium analogues of nitrosylhemes. Strong ligand field effects and, to a lesser degree, relativistic effects were found to destabilize {RuNO} porphyrins relative to their {FeNO} analogues. Substantially stronger relativistic effects account for the even greater instability and/or nonexistence of {OsNO} porphyrin derivatives.

DOI 10.1021/acsomega.8b01434
ISSN 2470-1343
Citation ACS Omega. 2018;3(9):1051310516.

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