Electronic properties of polyoxometalate derivatives [(C2B9H11) M'M5O18]n‐ (M' = TiIV,MoVI, WVI; M = MoVI,WVI): Protonation,Electronic Spectra,and Redox Properties |
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Authors: | Nana Ma Shujun Li Likai Yan Wenyong Wang Yongqing Qiu Guisheng Zhang |
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Institution: | 1. School of Chemistry and Chemical Engineering, Henan Normal University, Xinxiang, Henan, China;2. Faculty of Chemistry, Northeast Normal University, Changchun, Jilin, China |
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Abstract: | Density functional theory is used to study the electronic structures and properties of Lindqvist‐type polyoxometalates‐supported organometallic compounds LM'M5O18]n– (L = C2B9H11]2– (Cb), C5H5]– (Cp); M' = TiIV, MoVI, WVI; M = MoVI, WVI). (Cb)M'M5O18]n– are a series of novel compounds designed in this work, based on related experiment. The calculated results reveal that the Cb ligand is able to form a σ, 2π triple bond with M', which is similar to the bond character in (Cp)M'M5O18]n–. However, comparing with the protonation, electronic spectra and redox properties of (Cp)M'M5O18]n– and M'M5O19]n–, (Cb)M'M5O18]n– species show the advantageous electronic properties owning to the superior electron donating ability of the Cb ligand. © 2015 Wiley Periodicals, Inc. |
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Keywords: | polyoxometalates dicarbollide protonation electronic spectra redox |
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