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On the Fragmentation of Ni(II) β-Diketonate-Diamine Complexes as Molecular Precursors for NiO Films: A Theoretical and Experimental Investigation. | LitMetric

AI Article Synopsis

  • - NiO-based nanomaterials are gaining attention for various applications, prompting the exploration of different methods to modify their properties through bottom-up synthesis from precursors. - The study investigates the fragmentation of Ni(II) diketonate-diamine adducts using electrospray ionization mass spectrometry (ESI-MS) and theoretical calculations, seeking a better understanding of their reactivity as vapor-phase precursors for Ni(II) oxide systems. - Results show that the fragmentation produces similar base-peak cations by losing a diketonate moiety, revealing stronger Ni-O and Ni-N interactions, and leading to a unique cation-π interaction with a tetracoordinated Ni environment in the final products.

Article Abstract

NiO-based nanomaterials have attracted considerable interest for different applications, which have stimulated the implementation of various synthetic approaches aimed at modulating their chemico-physical properties. In this regard, their bottom-up preparation starting from suitable precursors plays an important role, although a molecular-level insight into their reactivity remains an open issue to be properly tackled. In the present study, we focused on the fragmentation of Ni(II) diketonate-diamine adducts, of interest as vapor-phase precursors for Ni(II) oxide systems, by combining electrospray ionization mass spectrometry (ESI-MS) with multiple collisional experiments (ESI-MS) and theoretical calculations. The outcomes of this investigation revealed common features in the fragmentation pattern of the target compounds: (i) in the first fragmentation, the three complexes yield analogous base-peak cations by losing a negatively charged diketonate moiety; in these cations, Ni-O and Ni-N interactions are stronger and the Ni positive charge is lower than in the parent neutral complexes; (ii) the tendency of ligand electronic charge to migrate towards Ni further increases in the subsequent fragmentation, leading to the formation of a tetracoordinated Ni environment featuring an interesting cation-π intramolecular interaction.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10856068PMC
http://dx.doi.org/10.3390/molecules29030642DOI Listing

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