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CHEMICAL PREPARATION, THERMAL BEHAVIOR, KINETIC AND INFRARED STUDIES AND QUANTUM CHEMICAL CALCULATIONS OF Ca3(P3O9)2•10H2O

“…The strong band at 780 cm -1 characterizes with no ambiguity the structure of a P 3 O 9 3-cyclotriphosphate 10 . Between 660 and 400 cm -1 the spectrum (a) (FIGURE 2a) shows bending vibration bands characteristic of phosphates with ring anions 10,11,12,13 . The nature of the vibration corresponding to the different observed bands is given in 1,14 .…”

Chemical preparation, kinetics of thermal behavior and infrared studies of Pb3(P3O9)2.3H2O and Cd3(P3O9)2.14H2O

“…3a, 4a) (Fig. 3a, 4a) show bending vibration bands characteristic of phosphates with ring anions [20][21][22][23] . The vibrations corresponding to the different observed bands are given in Table 2.…”

“…1b), nor exhibit the IR absorption bands characteristic of a cyclic phosphate P 3 O 9 3- (Fig. 2b) [20][21][22][23] 27 . The latter result is confirmed by chemical analyses, X-ray diffraction (Fig.…”

Chemical preparation, crystallographic characterization, thermal behavior and IR studies of two new cyclotriphosphates SrKP3O9·3H2O and SrKP3O9

“…The domain 1400-650 cm −1 , characteristic of the valence vibration bands of the cycle [1][2][3][4][8][9][10][11][12][13][14][15][16], as well as possible bands due to interactions between P 3 O 9 cycles and water molecules and also water vibration modes will be examined on the basis of our thirty IR calculated frequencies of the P 3 O 9 ring within Cs symmetry. This infrared study is also made in the light of the frequencies displacements during theoretical isotopic substitutions of the equivalent atoms (3P, 3Oi and 6Oe) belonging to the P 3 Oi 3 Oe 6 ring (Cs) and the IR spectra of the isotypic compounds, whose crystal structure was solved by X-ray diffraction, SrM I P 3 O 9 ·3H 2 O (M I = Rb + , NH 4 + , Tl + and K + ), in relation to their crystalline structure.…”

“…This infrared study is also made in the light of the frequencies displacements during theoretical isotopic substitutions of the equivalent atoms (3P, 3Oi and 6Oe) belonging to the P 3 Oi 3 Oe 6 ring (Cs) and the IR spectra of the isotypic compounds, whose crystal structure was solved by X-ray diffraction, SrM I P 3 O 9 ·3H 2 O (M I = Rb + , NH 4 + , Tl + and K + ), in relation to their crystalline structure. This series of salts crystallizes in the orthorhombic system, space group Pnma (D 2h 16 ), Z = 4 with a unit-cell containing 4 cycles P 3 O 9 with local symmetry m or Cs. The reduced representation of the internal modes of the isolated ring P 3 O 9 with Cs symmetry is int = 17A (IR,Ra) + 13A (IR,Ra).…”