Local Oxidation States in {FeNO}6–8 Porphyrins: Insights from DMRG/CASSCF–CASPT2 Calculations

Author:

Phung Quan Manh12ORCID,Nam Ho Ngoc34ORCID,Ghosh Abhik5ORCID

Affiliation:

1. Department of Chemistry, Graduate School of Science, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8602, Japan

2. Institute of Transformative Bio-Molecules (WPI-ITbM), Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8601, Japan

3. Institute of Materials Innovation, Institutes of Innovation for Future Society, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8601, Japan

4. Department of Chemical Systems Engineering, Graduate School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8603, Japan

5. Department of Chemistry, UiT the Arctic University of Norway, N-9037 Tromsø, Norway

Funder

Norges Forskningsr?d

Publisher

American Chemical Society (ACS)

Subject

Inorganic Chemistry,Physical and Theoretical Chemistry

Reference109 articles.

1. a Nitrosyl Complexes in Inorganic Chemistry, Biochemistry and Medicine I; Mingos, D. M. P., Ed. Structure and Bonding; Springer, 2013; Vol. 153, pp 1–232.

2. b Nitrosyl Complexes in Inorganic Chemistry, Biochemistry and Medicine II; Mingos, D. M. P., Ed. Structure and Bonding; Springer, 2014; Vol. 154, pp 1–260.

3. The Biologically Relevant Coordination Chemistry of Iron and Nitric Oxide: Electronic Structure and Reactivity

4. Solid-State Structures of Metalloporphyrin NOx Compounds

5. Not Guilty on Every Count: The “Non‐Innocent” Nitrosyl Ligand in the Framework of IUPAC′s Oxidation‐State Formalism

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