A new organically templated gallium(III)-doped chromium(III) fluorophosphite, (C2H10N2)[Ga0.98Cr0.02(HPO3)F3] hydrothermal synthesis, crystal structure and spectroscopic properties

A new organically templated fluoro-phosphite gallium(III)-doped chromium(III) with formula (C2H10N2)[Ga0.98Cr0.02(HPO3)F-3] has been synthesized by using mild hydrothermal conditions Under autogeneOLIS pressure. The crystal structure has been solved from X-ray single-crystal data. The compound crystallizes in the P2(1)2(1)2(1) orthorhombic space group, with the unit-cell parameters a = 12.9417(7) Angstrom, b = 9.4027(6) Angstrom, c = 6.3502(4) Angstrom and Z = 4. The final R factors were R1 - 0.022 (all data) and wR2 - 0.050. The crystal structure consists of [Ga0.98Cr0.02(HPO3)F-3](2-) anionic chains extended along the c-axis, with the ethylenediammonium cations placed in the cavities of the structure delimited by three different chains. The IR and Rarnan spectra show the characteristic bands of the phosphite oxoanion. The diffuse reflectance spectroscopy allowed LIS to calculate the Dq and Racah parameters of the Cr(III) cations in octahedral environment. The values are Dq = 1375 cm(-1). B - 780 cm(-1) and C = 3420 cm(-1). The polycrystalline ESR spectra performed at X and Q-bands show the signals belonging to the diluted Cr(III) cation in this phase. From the fit of the X-band ESR spectrum at 4.2 K, the calculated values of the axial (D) and rhombic (E) distortion parameters are 0.075 and 0.042 cm(-1), respectively, the components of the g-tensor being g(x) = 1.98. g(y) = 1.99 and g(z) = 1.90. (C) 2003 Elsevier Inc. All rights reserved.