title: An exclusively organometallic {FeNO}(7) complex with tetracarbene ligation and a linear FeNO unit.
abstract: The iron(II) complex 1 of a macrocyclic tetracarbene binds NO to form a low-spin (S = (1)/2) {FeNO}(7) complex (2) with a linear FeNO unit and a short Fe-NO bond. IR, electron paramagnetic resonance, and Mössbauer spectroscopies as well as density functional theory calculations suggest some Fe(I)NO(+) character and reveal that the singly occupied molecular orbital of 2, resulting from the σ-antibonding interaction of Fe dz(2) and the NO lone pair, is largely iron-based. Reduction yields a quite stable {FeNO}(8) species (3); both 2 and 3 feature very low Mössbauer isomer shifts (∼0.0 mm·s(-1)).
authors.affiliation: Institut für Anorganische Chemie, Georg-August Universität, Tammannstraße 4, 37077 Göttingen, Germany.
authors.forename: Claudia
authors.initials: C
authors.lastname: Kupper
authors.affiliation: Institut für Anorganische Chemie, Georg-August Universität, Tammannstraße 4, 37077 Göttingen, Germany.
authors.forename: Anne
authors.initials: A
authors.lastname: Schober
authors.affiliation: Institut für Anorganische Chemie, Georg-August Universität, Tammannstraße 4, 37077 Göttingen, Germany.
authors.forename: Serhiy
authors.initials: S
authors.lastname: Demeshko
authors.affiliation: Institut für Anorganische Chemie, Georg-August Universität, Tammannstraße 4, 37077 Göttingen, Germany.
authors.forename: Marie
authors.initials: M
authors.lastname: Bergner
authors.affiliation: Institut für Anorganische Chemie, Georg-August Universität, Tammannstraße 4, 37077 Göttingen, Germany.
authors.forename: Franc
authors.initials: F
authors.lastname: Meyer
mesh_terms: D056831:Coordination Complexes / Q000737:chemistry*; D055664:Electrochemical Techniques; D007501:Iron / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D015394:Molecular Structure; D009569:Nitric Oxide / Q000737:chemistry*
chemical_list: D056831:Coordination Complexes; D009569:Nitric Oxide; D007501:Iron