Search

Monazite, as a source of raw materials, plays a significant role in the development and applications of green technologies, including medicine and energy production. It contains nuclear materials, which are challenging to extract by convectional cracking processes. However, a new method (thermal plasma cracking) has been proposed for processing monazite. The first principles calculation approach was used to investigate the theoretical structure and mechanical properties of monazite-systems to gain deeper understanding of monazite's thermodynamics and mechanical structure. The calculated lattice parameters were found to correlate well with obtained experimental values and that these monazite type systems are exceptionally mechanically stable. The results also show that there are imaginary soft modes in dispersion curves which may correspond to negative elastic constant C35 indicating vibrational instability.

C43H34NO8PS2Re2, monoclinic, P21/c (no. 14), a = 12.165(8) Å, b = 19.027(11) Å, c = 18.848(14) Å, β = 108.735(2)°, V = 4131(5) Å3, Z = 4, Rgt(F) = 0.0308, wRref(F2) = 0.0683, T = 100(2) K.

C36H28Co1N6O4, triclinic, P1̄ (no. 2), a = 6.3166(4) Å, b = 8.5454(5) Å, c = 14.8075(9) Å, α = 105.157(2)°, β = 94.494(3)°, γ = 101.890(2)°, V = 747.5(2) Å3, Z = 1, Rgt(F) = 0.0332, wRref(F2) = 0.0790, T = 100(2) K.

C7H4NO4Rh, monoclinic, P21/c (no. 14), a = 3.5780(12) Å, b = 10.932(4) Å, c = 20.866(7) Å, β = 94.792(11)°, V = 813.3(12) Å3, Z = 4, Rgt(F) = 0.0345, wRref(F2) = 0.0712, T = 100 K.

C24H19NO3PRh, triclinic, P1̅ (no. 2), a = 9.1734(16) Å, b = 9.5433(18) Å, c = 12.342(2) Å, α = 92.400(6)°, β = 105.460(5)°, γ = 99.472(5)°, V = 1023 Å3, Z = 2, Rgt(F) = 0.0236, wRref(F2) = 0.0597, T = 100 K.

C25H20AsN2O3Rh, triclinic, P-1 (no. 1), a = 9.2781(15) Å, b = 10.1405(15) Å, c = 13.303(2) Å, α = 99.789(5)°, β = 107.971(5)°, γ = 94.089(5)°, V = 1162.9(3) Å3, Z = 2, Rgt(F) = 0.0578, wRref(F2) = 0.1833, T = 100(2) K.

C8H20Cl6N1Ta1, monoclinic, P21/n (no. 14), a = 7.1550(4) Å, b = 10.0090(6) Å, c = 11.6290(4) Å, β = 98.487(5)°, V = 823.7(8) Å3, Z = 2, Rgt(F) = 0.0207, wRref(F2) = 0.0531, T = 100(2) K.

C21H14ClN, orthorhombic, Pca21 (No. 29), a = 7.6860(5) Å, b = 10.1610(5) Å, c = 19.8990(5) Å, V = 1554.1(13) Å3, Z = 4, Rgt(F) = 0.0318, wRref(F2) = 0.0783, T = 100(2) K.

The fluorine radicals generated in a CF4 non-equilibrium RF plasma readily react with silicon carbide (SiC) forming volatile SiF4 and CF4. In a spouted-bed configuration this enables the complete removal of the SiC layer of TRISO coated particles in 14-15 h with excellent control of the process for analysis and quality control of the coatings. The process kinetics is mass-transfer controlled. [ABSTRACT FROM AUTHOR]

C43H34NO8PS2Re2, monoclinic, P21/c (no. 14), a=12.165(8) Å, b=19.027(11) Å, c=18.848(14) Å, β=108.735(2)°, V=4131(5) ų, Z=4, Rgt(F)=0.0308, wRref(F²)=0.0683, T=100(2) K. [ABSTRACT FROM AUTHOR]

C43H34NO8PS2Re2, monoclinic, P21/c (no. 14), a=12.165(8) Å, b=19.027(11) Å, c=18.848(14) Å, β=108.735(2)°, V=4131(5) ų, Z=4, Rgt(F)=0.0308, wRref(F²)=0.0683, T=100(2) K. [ABSTRACT FROM AUTHOR]

C36H28Co1N6O4, triclinic, P... (no. 2), a=6.3166(4) Å, b=8.5454(5) Å, c=14.8075(9) Å, α=105.157(2)°, β=94.494(3)°, γ=101.890(2)°, V=747.5(2) ų, Z=1, Rgt(F)=0.0332, wRref(F²)=0.0790, T=100(2) K. [ABSTRACT FROM AUTHOR]

C36H28Co1N6O4, triclinic, P... (no. 2), a=6.3166(4) Å, b=8.5454(5) Å, c=14.8075(9) Å, α=105.157(2)°, β=94.494(3)°, γ=101.890(2)°, V=747.5(2) ų, Z=1, Rgt(F)=0.0332, wRref(F²)=0.0790, T=100(2) K. [ABSTRACT FROM AUTHOR]

C7H4NO4Rh, monoclinic, P21/ c (no. 14), a = 3.5780(12) Å, b = 10.932(4) Å, c = 20.866(7) Å, β = 94.792(11)°, V = 813.3(12) Å3, Z = 4, Rgt (F) = 0.0345, wRref (F2 ) = 0.0712, T = 100 K. [ABSTRACT FROM AUTHOR]

C24H19NO3PRh, triclinic, P1̅ (no. 2), a = 9.1734(16) Å, b = 9.5433(18) Å, c = 12.342(2) Å, α = 92.400(6)°, β = 105.460(5)°, γ = 99.472(5)°, V = 1023 Å3, Z = 2, Rgt (F) = 0.0236, wRref (F2 ) = 0.0597, T = 100 K. [ABSTRACT FROM AUTHOR]

C18H15N6O7Nb, monoclinic, P21/c (no. 14), a=13.070(4) Å, b=10.165(3) Å, c=15.109(4) Å, β=92.198(10)°, V=2005.9(14) ų, Z=4, Rgt(F)=0.0318, wRref(F²)=0.088, T=100 K. [ABSTRACT FROM AUTHOR]

C25H20AsN2O3Rh, triclinic, P-1 (no. 1), a=9.2781(15) Å, b=10.1405(15) Å, c=13.303(2) Å, α=99.789(5)°, β=107.971(5)°, y=94.089(5)°, V=1162.9(3) ų, Z=2, Rgt(F)=0.0578, wRref(F²)=0.1833, T=100(2) K. [ABSTRACT FROM AUTHOR]

C8H20Cl6N1Ta1, monoclinic, P 21/ n (no. 14), a = 7.1550(4) Å, b = 10.0090(6) Å, c = 11.6290(4) Å, β = 98.487(5)°, V = 823.7(8) Å3, Z = 2, Rgt (F) = 0.0207, wRref (F2 ) = 0.0531, T = 100(2) K. [ABSTRACT FROM AUTHOR]

Treatment of pyrazolyl acetoximes p -RC 6 H 4 {CN(H)NCCH}CH 2 C(Me) NOH (R = OMe, H, F, Cl, CN, NO 2 ) with 1 equiv of ZnCl 2 leads to the complexes [ZnCl 2 ( p -RC 6 H 4 {CN(H)NCCH}CH 2 C(Me) NOH)] (81–91%). These species exhibit fluorescence at room temperature with emission maxima in the region 460–509 nm and biexponential relaxation with τ 1 = 4.63–8.64 ns and τ 2 = 0.482–0.955 ns, respectively. The zinc complexes were characterized by elemental analyses (C, H, N), HRESI-MS, FTIR, 1 H and 13 C{ 1 H} NMR, and CP-MAS TOSS 13 C{ 1 H} NMR. In addition, two zinc complexes and one pyrazolyl acetoxime were studied by single-crystal X-ray diffraction. [ABSTRACT FROM AUTHOR]

The title compound, C(7)H(10)F(6)O(4), was isolated as an unexpected product from a reaction of tantalum(V) methoxide with hexa-fluoro-acetyl-acetone in a methanol solution. The asymmetric unit consists of one half-mol-ecule with the middle C atom lying on a twofold axis. The crystal structure is stabilized by O-H⋯O and an array of C-H⋯F hydrogen-bonding inter-actions. These inter-actions link the mol-ecules into a stable supra-molecular three-dimensional network. The mol-ecules pack in a ribbon-like form in the ac plane as a result of these inter-actions.

In the title compound, [RhCl(C(21)H(21)P)(2)(CO)], the coordination geometry around the Rh(I) atom is slightly distorted square-planar with the phosphane ligands in trans positions with respect to each other. The chloride and carbonyl ligands show positional disorder, and the Rh(I) atom lies on a center of inversion. The effective cone angle Θ(E) for the title compound is 169.0 (3)°. There are no significant inter-molecular inter-actions.

In the title compound, [Nb(CH(3)O)(3)(C(5)H(7)O(2))Cl], the Nb(V) atom is coordinated by two O atoms from the chelating acetyl-acetonate ligand, three O atoms from the methano-late groups and one chloride ligand. The octa-hedral environment around niobium is slightly distorted with Nb-O distances in the range 1.8603 (15)-2.1083 (15) Å and an Nb-Cl distance of 2.4693 (9) Å. The O-Nb-O angles vary between 80.74 (6) and 100.82 (7)°, while the trans Cl-Nb-O angle is 167.60 (5)°. There are no hydrogen bonds observed, only an inter-molecular C-H⋯O inter-action.