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

Taye B. Demissie; Jeanet Conradie; Hugo Vazquez-Lima; Kenneth Ruud; Abhik Ghosh;

Open Access

doi: 10.1021/acsomega.8b01434

pmc: PMC6645279

pmid: 31459176

Published: 01 Sep 2018 Journal: ACS Omega, volume 3, pages 10,513-10,516 (issn: 2470-1343, eissn: 2470-1343,

Publisher: American Chemical Society (ACS)

Country: Norway

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Abstract

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 https://doi.org/10.1021/acsomega.8b01434. 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 analogues. Substantially stronger relativistic effects account for the even greater instability and/or nonexistence of {OsNO}7 porphyrin derivatives.

Subjects by Vocabulary

Microsoft Academic Graph classification: Coordination complex chemistry.chemical_classification chemistry Osmium chemistry.chemical_element Ligand field theory Molecule Ruthenium Crystallography Porphyrin chemistry.chemical_compound Relativistic quantum chemistry Density functional theory

Library of Congress Subject Headings: lcsh:Chemistry lcsh:QD1-999

Subjects

General Chemical Engineering, General Chemistry, 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, Article

Related Organizations

Addis Ababa University
Ethiopia
University of the Free State
Department of Chemistry
Ohio State University, Department of Psychology
United States
UiT The Arctic University of Norway
Norway

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