publication . Article . 2018

Rare and Nonexistent Nitrosyls: Periodic Trends and Relativistic Effects in Ruthenium and Osmium Porphyrin-Based {MNO}7 Complexes

Demissie, Taye Beyene; Conradie, Jeanet; Vazquez-Lima, Hugo; Ruud, Kenneth; Ghosh, Abhik;
Open Access English
  • Published: 01 Sep 2018 Journal: ACS Omega, volume 3, issue 9, pages 10,513-10,516 (issn: 2470-1343, Copyright policy)
  • Publisher: American Chemical Society
  • Country: Norway
The following article: Demissie, T.B., Conradie, J., Vazquez-Lima, H., Ruud, K. & Ghosh, A. (2018). Rare and Nonexistent Nitrosyls: Periodic Trends and Relativistic Effects in Ruthenium and Osmium Porphyrin-Based {MNO}7 Complexes. ACS Omega, 3(9), 10513-10516 can be accessed at c. Licensed CC BY-NC-ND 4.0. 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 analogu...
Persistent Identifiers
free text keywords: Article, VDP::Mathematics and natural science: 400::Chemistry: 440, VDP::Matematikk og Naturvitenskap: 400::Kjemi: 440, Coordination compounds, Materials science, Molecular structure, Physical and chemical properties, Potential energy, Quantum mechanical methods, lcsh:Chemistry, lcsh:QD1-999
Funded by
European Plate Observing System
  • Funder: European Commission (EC)
  • Project Code: 262229
  • Funding stream: FP7 | SP4 | INFRA
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