Chemical Preparation, Thermal Behavior, Kinetic, and IR Studies of MnK₄(P₃O₉)₂.2H₂O, Crystallographic Data of a New Cyclotriphosphate MnK₄(P₃O₉)₂, and Quantum Chemical Calculations for the P₃O³⁻₉ Ion

Abstract

Chemical presparation, thermal behavior, and infrared (IR) studies are discussed for the cyclotriphosphate MnK₄(P₃O₉)₂.2H₂O and its anhydrous form MnK₄(P₃O₉)₂. The total dehydration of MnK₄(P₃O₉)₂.2H₂O, between 200 and 550 °C, leads to its anhydrous form MnK₄(P₃O₉)₂. MnK₄(P₃O₉)₂ is a new cyclotriphosphate crystallizing in the rhombohedral system and is stable until its melting point at 560 °C. The thermal behavior of MnK₄(P₃O₉)₂.2H₂O has been investigated and interpreted by comparison with IR absorption spectrometry and X-ray diffraction experiments. Two different methods, Ozawa and KAS (Kissinger-Akahira-Sunose), were selected in studying the kinetics of thermal behavior of the title compound. Quantum chemical calculations were made for the P₃O ³⁻ ₉ ion.

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GRAPHICAL ABSTRACT

Keywords:

• Crystallographic data
• infrared spectrometry
• quantum chemical calculations
• thermal behavior
• X-ray diffraction

Acknowledgments

We thank the Moroccan Association of the Chemists Theorists (AMCT) for its material and software support.