The Institute for Molecular Science, National Institutes of Natural Sciences
The Graduate University for Advanced Studies, SOKENDAI
High Energy Accelerator Research Organization, KEK
The double-bond character of phosphates in solid and liquid phases was investigated using the P=O π* peaks in oxygen K-edge X-ray absorption spectroscopy (XAS). In the solid phase, the double-bond character of phosphates increased with increasing negative charge; NaH2PO4 exhibited weak P=O π* peaks, whereas Na3PO4 exhibited prominent P=O π* peaks. In an aqueous Na3PO4 solution, the double-bond character was reduced owing to interactions between phosphate and Na+ as well as the formation of hydration structures. These findings provide insights into the influence of chemical environment on the electronic structure and reactivity of phosphate compounds involved in various biological processes such as adenosine triphosphate hydrolysis.
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