title: Vibrational blue shift of coordinated N2in [Fe3O(OAc)6(N2)n]+: "non-classical" dinitrogen complexes.
abstract: We present "non-classical" dinitrogen Fe(iii) oxo acetate complexes in vacuo utilizing Infrared Photodissociation (IR-PD) at cryo temperatures. The IR-PD spectra reveal a blue shift of the N2stretching vibration frequencies in the complexes. Density Functional Theory (DFT) calculations confirm the experiments and indicate strengthened N-N bonds due to pronounced σ bonding and a lack of π back donation.
authors.affiliation: Fachbereich Chemie and Forschungszentrum OPTIMAS, Technische Universität Kaiserslautern, 67663 Kaiserslautern, Germany. jlang@chemie.uni-kl.de.
authors.forename: Johannes
authors.initials: J
authors.lastname: Lang
authors.affiliation: Fachbereich Chemie and Forschungszentrum OPTIMAS, Technische Universität Kaiserslautern, 67663 Kaiserslautern, Germany. jlang@chemie.uni-kl.de.
authors.forename: Jennifer
authors.initials: J
authors.lastname: Mohrbach
authors.affiliation: Fachbereich Chemie and Forschungszentrum OPTIMAS, Technische Universität Kaiserslautern, 67663 Kaiserslautern, Germany. jlang@chemie.uni-kl.de.
authors.forename: Sebastian
authors.initials: S
authors.lastname: Dillinger
authors.affiliation: Fachbereich Chemie and Forschungszentrum OPTIMAS, Technische Universität Kaiserslautern, 67663 Kaiserslautern, Germany. jlang@chemie.uni-kl.de.
authors.forename: Joachim M
authors.initials: JM
authors.lastname: Hewer
authors.affiliation: Fachbereich Chemie and Forschungszentrum OPTIMAS, Technische Universität Kaiserslautern, 67663 Kaiserslautern, Germany. jlang@chemie.uni-kl.de.
authors.forename: Gereon
authors.initials: G
authors.lastname: Niedner-Schatteburg