. (2014). Pristine organo-imido polyoxometalates as an anode for lithium ion batteries. RSC Advances: an international journal to further the chemical sciences, 4 (15), 7374-7379. Pristine organo-imido polyoxometalates as an anode for lithium ion batteries AbstractHere we have designed a strategy to improve the electronic conductivities of polyoxometalates (POMs) via property-oriented organic grafting for use in lithium-ion batteries (LIBs). POMs usually exhibit limited electronic conductivity that hinders their use in electronic applications. Organic grafting of POMs defines a valuable path for improving electronic conductivities of POMs, due to the enhanced metal to ligand charge transfer (MLCT) via d-π electronic interactions, and results in their feasible application in LIBs. Comparative practical and theoretical study of the effect of functional groups revealed that grafting of the remote electron withdrawing group (-SCN) on POMs via organo-imidoylization along with lower values of lowest unoccupied molecular orbitals (LUMO) results in an enhanced performance as Mo6-SCN shows initial discharge capacity of ∼1678 mA h g-1 with ∼85% capacity retention and coulombic efficiency ∼100% after 100 cycles. 2014 The Royal Society of Chemistry. Comparative practical and theoretical study of the effect of functional groups revealed that grafting of the remote electron withdrawing group (-SCN) on POMs via organo-imidoylization along with lower values of lowest unoccupied molecular orbitals (LUMO) results in an enhanced performance as Mo 6 -SCN shows initial discharge capacity of $1678 mA h g À1 with $85% capacity retention and coulombic efficiency $100% after 100 cycles.

Four novel organoimido derivatives of hexamolybdate containing a remote carboxyl group have been synthesized: [Bu4N]2[Mo6O18(N-C6H4-3-COOH)] (1), [Bu4N]2[Mo6O18(N-C6H4-2-CH3-4-COOH)] (2), [Bu4N]2[Mo6O18(N-C6H4-2-CH3-5-COOH)] (3), and [Bu4N]2[Mo6O18(N-C6H4-2-CH3-3-COOH)] (4) with 3-aminobenzoic acid, 4-amino-3-methylbenzoic acid, 3-amino-4-methylbenzoic acid, and 3-amino-2-methylbenzoic acid as the imido-releasing agents, respectively. Their structures have been characterized by IR, UV-vis, (1)H NMR, ESI-MS, and single-crystal X-ray diffraction techniques. Hydrogen bonding interactions play an important role in the supramolecular assemblies of these compounds in the solid state. Although the incorporated organic ligands are similar to each other, their supramolecular assembly behaviors are quite different. For compound 1, the dimer structure is formed via hydrogen bonding between the carboxyl group and the POM cluster of two neighboring cluster anions. For compound 2, the 1D chain structure is formed via hydrogen bonding between the carboxyl groups and the POM clusters of the cluster anions. For compound 3, the 2D plane structure is formed via two types of hydrogen bonding between the aromatic rings and the POM clusters of the cluster anions. For compound 4, the 1D plus 2D structures are formed via three types of hydrogen bonding between the aromatic rings and the POM clusters of the two types of cluster anions with different orientations.