A novel organotriphosphoryl polyoxomolybdate: Synthesis, crystal structure, and experimental and theoretical investigation of the absorption spectra

• Compound 1 is the first example of polyoxomolybdate decorated by three phosphonate groups from one organotriphosphonic acid.
• The UV–vis absorption spectrum of the compound has been investigated experimentally and theoretically.

A novel organotriphosphoryl polyoxomolybdate, namely, [(CH3)4N][(CH3)3N][R(PO3H)2(PO3)]PMo9O28 (1), where R = C12H15, has been synthesized hydrothermally. The structure of 1 contains one trivacant [PMo9O34] subunit on which is grafted one R(POH)2(PO) through three P-O-Mo bridges. Compound 1 is the first example of polyoxomolybdate decorated by three phosphonate groups from one organotriphosphonic acid. The structure of the compound was determined by single-crystal X-ray diffraction analysis and further characterized by infrared spectrum (IR) and elemental analysis. Moreover, the UV–vis absorption spectrum of the compound has been investigated experimentally and theoretically.

A novel organotriphosphoryl polyoxomolybdate has been prepared hydrothermally, where its absorption spectrum has been investigated experimentally and theoretically.Figure optionsDownload as PowerPoint slide