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• W2892039786 abstract "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}7 porphyrins relative to their {FeNO}7 analogues. Substantially stronger relativistic effects account for the even greater instability and/or nonexistence of {OsNO}7 porphyrin derivatives." @default.
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• W2892039786 date "2018-09-05" @default.
• W2892039786 modified "2023-10-17" @default.
• W2892039786 title "Rare and Nonexistent Nitrosyls: Periodic Trends and Relativistic Effects in Ruthenium and Osmium Porphyrin-Based {MNO}⁷ Complexes" @default.
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• W2892039786 doi "https://doi.org/10.1021/acsomega.8b01434" @default.
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