Morphological Evolution During Synthesis of New AlPO4 Center dot H2O Crystal

A new crystal of aluminophosphate, AIPO(4)(.)H(2)O, is synthesized from two-batch aqueous solution under hydrothermal conditions. Three types of the crystal habits, i.e. the tetragonal double pyramid, the tetragonal prism and the plate-type tetragonal prism, are found from batch-A solution. Two types of the crystal habits, i.e. the hexagonal pyramid and the strip-type tetragonal prism, are found from batch-B solution. The change of crystal morphology is originated from the fluctuation of the synthesis conditions, such as the supersaturation, the temperature and the impurity content. It causes change of the step energies, the defect density and the step roughness, and further, change of the growth rates. Since the crystal morphology is sensitive to the mass transport mechanism, the crystal habits could be changed under the microgravity.

Preparation And Optical Properties Of Cdte/Cdo Center Dot Nh(2)O Core/Shell Nano-Composites In Aqueous Solution

The deposition of CdO center dot nH(2)O On CdTe nanoparticles was studied in an aqueous phase. The CdTe nanocrystals (NCs) were prepared in aqueous solution through the reaction between Cd2+ and NaHTe in the presence of thioglycolic acid as a stabilizer. The molar ratio of the Cd2+ to Te2- in the precursory solution played an important role in the photoluminescence of the ultimate CdTe NCs. The strongest photoluminescence was obtained under 4.0 of [Cd2+]/[Te2-] at pH similar to 8.2. With the optimum dosage of Cd(II) hydrous oxide deposited on the CdTe NCs, the photoluminescence was enhanced greatly. The photoluminescence of these nanocomposites was kept constant in the pH range of 8.0-10.0, but dramatically decreased with an obvious blue-shifted peak while the pH was below 8.0. In addition, the photochemical oxidation of CdTe NCs with cadmium hydrous oxide deposition was markedly inhibited.

Preparation and optical properties of CdTe/CdO center dot nH(2)O core/shell nano-composites in aqueous solution

The deposition of CdO center dot nH(2)O On CdTe nanoparticles was studied in an aqueous phase. The CdTe nanocrystals (NCs) were prepared in aqueous solution through the reaction between Cd2+ and NaHTe in the presence of thioglycolic acid as a stabilizer. The molar ratio of the Cd2+ to Te2- in the precursory solution played an important role in the photoluminescence of the ultimate CdTe NCs. The strongest photoluminescence was obtained under 4.0 of [Cd2+]/[Te2-] at pH similar to 8.2. With the optimum dosage of Cd(II) hydrous oxide deposited on the CdTe NCs, the photoluminescence was enhanced greatly. The photoluminescence of these nanocomposites was kept constant in the pH range of 8.0-10.0, but dramatically decreased with an obvious blue-shifted peak while the pH was below 8.0. In addition, the photochemical oxidation of CdTe NCs with cadmium hydrous oxide deposition was markedly inhibited.

Influence of N doping on the Rashba coefficient, semiconductor-metal transition, and electron effective mass in InSb1-xNx nanowires: Ten-band k center dot p model

The electronic structures of InSb1-xNx nanowires are investigated using the ten-band k center dot p method. It is found that nitrogen increases the Rashba coefficient of the nanowires dramatically. For thick nanowires, the Rashba coefficient may increase by more than 20 times. The semiconductor-metal transition occurs more easily in InSb1-xNx nanowires than in InSb nanowires. The electronic structure of InSb1-xNx nanowires is very different from that of the bulk material. For fixed x the bulk material is a semimetal, while the nanowires are metal-like. In InSb1-xNx bulk material and thick nanowires, an interesting decrease of electron effective mass is observed near k=0 which is induced by the nitrogen, but this phenomenon disappears in thin nanowires.

Origin and elimination of spurious solutions of the eight-band k center dot p theory

The origin of spurious solutions in the eight-band envelope function model is examined and it is shown that spurious solutions arise from the additional spurious degeneracies caused by the unphysical bowing of the conduction bands calculated within the eight-band k center dot p model. We propose two approaches to eliminate these spurious solutions. Using the first approach, the wave vector cutoff method, we demonstrate the origin and elimination of spurious solutions in a transparent way without modifying the original Hamiltonian. Through the second approach, we introduce some freedom in modifying the Hamiltonian. The comparison between the results from the various modified Hamiltonians suggests that the wave vector cutoff method can give accurate enough description to the final results.

Synthesis and structure of new low dimensional polymeric haloplumbate(II) complexes [Pb4Br12(C40H40N8)] and [Pb4Cl12(C40H40N8)]center dot H2O

New low dimensional polymeric haloplumbate(II) complexes of the dication of (4,4'-bis(imidazolyl-ylmethyl)biphenyl) were synthesised and their crystal structures determined. Complex 1, [Pb4Br12(C40H40N8)], has cis-edge-shared, octahedral, lead bromide double chains. In compound 2 [Pb4Cl12(C40H40N8)]center dot H2O, the inorganic chains are corner-shared, square pyramidal chains of lead chloride. In both compounds the organic ammoniums form regular layers that alternate with the inorganic chains.

Studies of the intermolecular DNA triplexes of C+center dot GC and T center dot AT triplets by electrospray ionization Fourier-transform ion cyclotron resonance mass spectrometry

Formation and stabilities of four 14-mer intermolecular DNA triplexes, consisting of third strands with repeating sequence CTCT, CCTT, CTT, or TTT, were studied by electrospray ionization Fourier-transform ion cyclotron resonance mass spectrometry (ESI-FTICR-MS) in the gas phase. The gas-phase stabilities of the triplexes were compared with their CD spectra and melting behaviors in solution, and parallel correlation between two phases were obtained. In the presence of 20 mm NH4+ (pH 5.5), the formation of the TTT triplex was not detected in both solution and the gas phase.

Nucleation and growth of CUSO4 center dot 5H(2)O crystals on the liquid state stearic acid Langmuir-Blodgett film

Oriented crystallization of CUSO4 center dot 5H(2)O on a Langmuir-Blodgett (LB) film of stearic acid has been studied in the temperature ranges of 73-68 degrees C and 53-20 degrees C, respectively. This is the first time that the LB film at temperature above its melting point has been served as a template to induce nucleation and growth of crystals. The experimental results demonstrated that the LB film in the liquid state has the ability of directing the nucleation and growth of crystals. Moreover, X-ray diffraction patterns of the as prepared crystals revealed that the orientation of the attached crystals on the LB film is affected by temperature greatly.

Synthesis and Crystal Structure of a New 3D Copper B-Paradodecatungstate Compound: [Na-2(H2O)(8)][Na-8(H2O)(20)][Cu(en)(2)][W12O42] center dot 3H(2)O

A new polyoxotungstate complex [Na-2(H2O)(8)][Na-8(H2O)(20)][Cu(en)(2)][W12O42] center dot 3 H2O (1) (en = ethylenediamine) has been synthesized in aqueous solution and characterized by elemental analysis, IR spectroscopy and TG analysis, together with a single crystal X-ray diffraction study. In compound 1, the Cu(en)(2)(2+) complex cation links the [W12O42](12-) anions to form a I D chain, and the ID chains are further interconnected with Na-8(H2O)(20)(8+) and Na-2(H2O)(8)(2+) cations to construct a new 3D framework.

Why [6,6]- and 1,2-Benzal-3-N-4-O-Cyclic Phenylimidate C-60 Undergo Electrochemically Induced Retro-Addition Reactions while 1,4-Dibenzyl-2,3-Cyclic Phenylimidate C-60 Does Not? C-H center dot center dot center dot X (X = N, O) Intramolecular Interactions in Organofullerenes

The electrochemical properties of a series of structurally related fullerooxazoles, [6,6] cyclic phenylimidate C-60 (1), 1,2-benzal-3-N-4-O-cyclic phenylimidate C-60 (2), and 1,4-dibenzyl-2,3-cyclic phenylimidate C-60 (3), are described, and the spectroscopic characterizations of their anionic species are reported. The results show that compounds I and 2 undergo retro-cycloaddition reactions that lead to the formation of C-60 and C61HPh, respectively, upon two-electron-transfer reduction. However, compound 3 demonstrates much more electrochemical stability as no retro-cycloaddition reaction occurs under similar conditions. Natural bond orbital (NBO) calculations on charge distribution show there is no significant difference among the dianions of 1, 2, and 3, indicating that the electrochemical stability of 3 is unlikely to be caused by the charge distribution difference of the dianions of three compounds. Examination on the crystal structure of compound 3 reveals close contacts of the C-H group with the heteroatoms (N and O) of cyclic phenylimidate, suggesting the existence of C-H center dot center dot center dot X (X = N, O) intramolecular hydrogen bonding among the addends, which is further confirmed by NBO analysis.

Hydrothermal synthesis, structure characterization of a new mixed Mo/V metal-oxygen cluster compound: [Co(phen)(3)](2)[HPMo4V (Mo4V6IV)-V-VI M2O44]center dot 4H(2)O, (M=0.78Mo(V)+0.22V(IV))

A new polyoxometalate [Co(phen)(3)](2)[HPMo4V Mo-4(VI) V-6(IV) M2O44]center dot 4H(2)O (M = 0.78Mo(V)+ 0.22V(IV)) 1 was hydrothermally synthesized and characterized by IR, elemental analyses, X-ray photoelectron spectrum, ESR and single crystal X-ray diffraction. The title compound is in the triclinic space group P (1) over bar with a = 12.0953(7) angstrom, b = 14.0182(6) angstrom, c = 14.6468(7) angstrom, V=2402.55(18) angstrom(3), alpha = 105.134(2), beta = 91.841(3), gamma = 91.401(2), Z = 1, and R-1 (wR(2)) = 0.0617 (0.1701). The compound was prepared from tetra-capped pseudo-Kepin with phosphorus-centered polyoxoanions [PMo8V6M2O44](5-) , [Co(phen)(3)](2+) cations and linked through hydrogen bonds and pi-pi stacking interaction into three-dimensional supramolecular framework. Astudy of the magnetic properties of 1 demonstrates that it exhibits antiferromagnetic coupling interactions.

Structure characterization and physical properties of a complex with supramolecular architectures Co-2(2,6-DPC2Co(H2O)5 center dot 2H(2)O (DPC=2,6-pyridinedicarboxylate)

Reaction of 2,6-pyridinedicarboxylic with CoCl2 . 6H(2)O in aqueous solution give rise to a three-dimensional Complex CO2(2,6-DPC)(2)Co(H2O)(5).2H(2)O (DPC = 2,6-pyridinedicarboxylate) 1. It has been characterized by elemental analyses, infrared spectra (IR) spectrum, thermogravimetric (TG) analysis, EPR spectrum, and single crystal X-ray diffraction. The complex crystallizes in the P2(1)/c space group with a = 8.3906(3) Angstrom, b = 27.4005(8) Angstrom, c = 9.6192(4) A, alpha = 90.00degrees, beta = 98.327(2)degrees, gamma = 90.00degrees, V = 2188.20(14) Angstrom(3), Z = 4. There are two types of cobalt environments: Co(1) is coordinated by four oxygen atoms from four carboxyl groups and two nitrogen 2 atoms which are all from pdc(2). Co(2) is coordinated by six oxygen atoms, five from coordinated water molecules and one from a carboxyl of pdc(2) - of which the other oxygen atom is linked to the Co(1). The extensive intermolecular hydrogen bonds are formed in the crystal by means of the five coordinated water molecules.

Crystal structures of EtEDTB center dot 1.4C(2)H(5)OH center dot 5H(2)O and H4EtEDTB(ClO4)(4)center dot C2H5OH (EtEDTB=N, N, N ', N '-tetrakis[2-(1-ethylbenzimidazolyl)methyl]-1,2-ethanediamine)

The crystal structures of EtEDTB.1.4C(2)H(5)OH.5H(2)O 1 and H4EtEDTB(ClO4)(4).C2H5OH 2 (EtEDTB = N, N,N',N'-tetrakis[2-(1-ethylbenzimidazolyl)methyl]-1,2-ethanediamine) have been determined by single-crystal X-ray diffraction method. Compound 1 crystallizes in the space group P(1) over bar with a = 11.489(2), b = 11.866(3), c = 12.002(3) Angstrom, alpha = 97.47(2), beta = 114.564(13), gamma = 114.11(2)degrees, V = 1266.6(5) Angstrom(3), Z = 1, M-r = 847.48, D-c = 1.111 g/cm(3), F(000) = 456 and mu(MoKalpha) = 0.076 mm(-1). A total of 5207 reflections were measured for 1, of which 4323 were independent. The structure of 1 was solved by direct methods and refined by full-matrix least-squares technique to the final R = 0.0706 and wR = 0.1802 for 1318 observed reflections with I > 2sigma(I). In the structure of 1, centrosymmetric EtEDTB molecules are linked by hydrogen bonds through water and ethanol to form 2-dimensional network. Compound 2 crystallizes in the space group C2/c with a = 24.260(5), b = 13.040(3), c = 17.680(4) Angstrom, beta = 97.50(3)degrees, V = 5545.2(2) Angstrom(3), Z = 4, M-r = 1140.80, D-c = 1.366 g/cm(3), F(000) = 2384 and mu(MoKalpha) = 0.289 mm(-1).

Syntheses and crystal structures of [Mn(H2O)(4)(bpy)]L center dot 4H(2)O, [Mn(H2O)(4)(bpy)]L ' center dot 4H(2)O (H2L = SUCCINIC ACID, H2L ' = FUMARIC ACID)

Reactions of freshly prepared M(OH)(2-2x)(CO3)(x) (.) yH(2)O (M = Mn, Zn) and 4,4'-bipyridine (bpy) with succinic acid (H2L) or famaric acid (H2L') in CH3OH-H2O afforded [Mn(H2O)(4)(bpy)]L (.) 4H(2)O, 1, [Mn(H2O)(4)(bpy)]L' (.) 4H(2)O, 2 and [Zn(H2O)(4)(bpy)]L (.) 4H(2)O, 3. The three coordination polymers are isostructural and consist of (1)(infinity)[M(H2O)(4)(bpy)(2/2)](2+) cationic chains, crystal H2O molecules and dicarboxylate anions (succinate or fumarate anions). Within the chains, the metal atoms are each octahedrally coordinated by four aqua oxygen atoms and two pyridyl nitrogen atoms from two 4,4'-bipyridine ligands. The crystal H2O molecules are hydrogen bonded to dicarboxylate anions to form ribbon-like anionic chains. The cationic and anionic chains are interconnected via hyqrogen bonds to generate a 3D network. Crystal data: 1 triclinic, P (1) over bar, a = 7.235(1), b = 7.749(2), c = 10.020(2) Angstrom, alpha = 79.95(3), beta = 88.79(3), gamma = 71.39(3)degrees, V = 523.9(2) Angstrom(3) and D-cal = 1.494 g cm(-3) for Z = 1; 2 triclinic, P (1) over bar, a = 7.127(1), b = 7.800(2), c = 9.945(2) Angstrom, alpha = 80.26(3), beta = 87.86(3), gamma = 72.69(3)degrees, V = 520.2(2) Angstrom(3) and D-cal = 1.498 g cm(-3) for Z = 1; 3 triclinic, P (1) over bar, a = 7.189(1), b = 7.764(2), c = 9.843(2) Angstrom, alpha = 79.16(3), beta = 87.80(3), gamma = 71.29(3)degrees, V = 510.9(2) Angstrom(3) and D-cal = 1.559 g cm(-3) for Z = 1.

Preparation and characterization of ultrathin multilayer films based on polyoxometalate Mo8V2O28 center dot 7H(2)O

The ultrathin multilayer films of sphere-shaped polyoxomolybdate Mo8V2O28.7H(2)O (abbreviated to Mo8V2) and poly(allylamine hydrochloride) (DAH) have been prepared by the layer-by-layer (LbL) self-assembly method. The (Mo8V2/DAH)(m) multilayer films have been characterized by X-ray photoelectron spectra (XPS) and atomic force microscopy (AFM). The electrochemistry behavior of the film at room temperature was investigated.