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Synthesis, Single Crystal X-Ray Structure, Theoretical Studies of Triple-{MnIII-Schiff-Base}-Decorated Molybdate

1
Department of Chemistry and Chemical Engineering, Kunming University, Kunming 650214, China
2
Yunnan Provincial Research Center for Plastic Films Engineering Technology, Kunming 650214, China
*
Author to whom correspondence should be addressed.
These authors contribute equally to this work.
Crystals 2019, 9(12), 657; https://doi.org/10.3390/cryst9120657
Received: 4 November 2019 / Revised: 28 November 2019 / Accepted: 30 November 2019 / Published: 9 December 2019
(This article belongs to the Section Crystal Engineering)
The design and synthesis of magnets with low dimensionality is currently an attractive research topic. The reaction of a Schiff base metal complex with simple molybdate has led to the formation of a new {MnIII-Schiff-base}-decorated molybdate heterometallic cluster, [{Mn(salpn)(H2O)}3MoO4](CH3COO)·2H2O (1) (salpn = N,N’-(1,3-propylene)bis(salicylideneiminate)). The hybrid aggregate was characterized using a range of methods including elemental analysis, single crystal x-ray diffraction, Infrared spectra (IR) spectroscopy, and x-ray structural analysis. The crystals of 1 are hexagonal: P63/m, a = 14.027(5) Å, c = 17.487(5) Å, V = 1142.6(3) Å3. Structural analyses indicate that we report on the preparation of the first triple metallic-oligomer held by orthomolybdate. Density functional theoretical calculation (DFT) studies have been performed to calculate electronic structure and potential energy landscapes. Additionally, the magnetic property of 1 indicates an antiferromagnetic coupling between the metal centers in the complex. View Full-Text
Keywords: Schiff base; heterometallic cluster; density functional theory; magnetic behavior Schiff base; heterometallic cluster; density functional theory; magnetic behavior
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MDPI and ACS Style

Xiao, J.-C.; Wu, Q.; Lei, Y.; Sun, J.-R.; Jiang, F.; Xu, Y.; Xu, X.-D.; Li, T. Synthesis, Single Crystal X-Ray Structure, Theoretical Studies of Triple-{MnIII-Schiff-Base}-Decorated Molybdate. Crystals 2019, 9, 657.

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