Electronic structure of open-shell tetrahedral {Fe(NO)2}(9) dinitrosyliron complexes

High-level ab initio excited-state theory is employed to investigate the electronic structure of doublet {Fe(NO)2}(9) species in the ground state and compared with the results obtained by density functional theory. Both of the approaches consistently suggest that the linear NO ligands in dinitrosyli...

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Veröffentlicht in:	Inorganic chemistry 2014-10, Vol.53 (20), p.10785-10787
Hauptverfasser:	Liu, Kuan-Yu, Yu, Jen-Shiang K
Format:	Artikel
Sprache:	eng
Schlagworte:	Electrons Iron - chemistry Molecular Structure Nitric Oxide - chemistry Nitrogen Oxides - chemistry Quantum Theory
Online-Zugang:	Volltext
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