Vibrational blue shift of coordinated N2 in [Fe3O(OAc)6(N2)n]+: "non-classical" dinitrogen complexes

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 N2 stretching vibration frequencies in the complexes. Density Functional Theory (DFT) calculations co...

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Veröffentlicht in:	Chemical communications (Cambridge, England) England), 2017-01, Vol.53 (2), p.420-423
Hauptverfasser:	Lang, Johannes, Mohrbach, Jennifer, Dillinger, Sebastian, Hewer, Joachim M, Niedner-Schatteburg, Gereon
Format:	Artikel
Sprache:	eng
Schlagworte:	Blue shift Bonding Bonding strength Density functional theory Infrared Nitrogen compounds Spectra Vibration
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creator	Lang, Johannes Mohrbach, Jennifer Dillinger, Sebastian Hewer, Joachim M Niedner-Schatteburg, Gereon
description	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 N2 stretching 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.
doi_str_mv	10.1039/c6cc07481b
format	Article
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source	Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection
subjects	Blue shift Bonding Bonding strength Density functional theory Infrared Nitrogen compounds Spectra Vibration
title	Vibrational blue shift of coordinated N2 in [Fe3O(OAc)6(N2)n]+: "non-classical" dinitrogen complexes
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