Insights into the photocatalysis mechanism of the novel 2D/3D Z-Scheme g-CN/SnS heterojunction photocatalysts with excellent photocatalytic performances.

A novel 2D/3D Z-scheme g-CN/SnS photocatalyst was successfully fabricated via self-assembly forming 3D flower-like SnS microspheres on the surface of the 2D g-CN nanosheets. The photocatalytic performances of the samples were systematically explored through catalytic reduction of Cr and oxidation of Bisphenol S (BPS) under the illumination of visible light, and the photocatalytic degradation pathway of BPS was also proposed based on the degradation products confirmed by GCMS. Among the as-prepared samples, 0.

Influence of pyrolysis temperature on the properties and environmental safety of heavy metals in chicken manure-derived biochars.

Animal manures usually contain high contents of heavy metals (HMs) and thus pose a considerable threat to human health and environment when applied to soil. In this study, the effect of pyrolysis temperature (300 °C, 400 °C, 500 °C, 600 °C, and 700 °C) on the properties of biochar produced from chicken manure was studied. In addition, the response of speciation, bioavailability, leachability, and environmental risk of HMs in biochar to different pyrolysis temperature was investigated.

Influence of sodium hydroxide addition on characteristics and environmental risk of heavy metals in biochars derived from swine manure.

In order to improve characteristics of biochar, especially enhance immobilization of heavy metals in biochar, swine manure was pyrolyzed at low pyrolysis temperature (300 °C, 400 °C and 500 °C) with different amounts of sodium hydroxide (NaOH) added (0.5% and 2%, W/W). Results showed that NaOH addition during pyrolysis increased the pH, EC, ash content, yield rate, aromaticity and hydrophily, but did not increase surface area and porosity of resultant biochars.

Structural, spectral and magnetic studies of two Co(II)-N-heterocyclic diphosphonates based on multinuclear units.

Two examples of Co(II)-N-heterocyclic coordination polymers based on 1-hydroxyethylidenediphosphonic acid (H5L=CH3C(OH)(PO3H2)2), namely 0.5(H3NCH2CH2NH3)·[Co6(Cl2)(H3L)2(H2L)(HL)(2,2'-bipy)6] 1 and 2(NH4)·[Co3(HL)2(H2O)2(phen)2]·2(H2O) 2, have been solvothermally obtained by introducing the second ligands 2,2'-bipyridine/1,10-phenanthroline (2,2'-bipy/phen) and characterized by powder X-ray diffraction (PXRD), elemental analysis, IR, TG-DSC. The single-crystal X-ray diffractions show that compound 1 possesses a 0-D structure with hexa-nuclear cluster [Co6(O-P-O)8] built through single/double O-P-O bridges and compound 2 displays a 1-D ladder-like chain structure with magnetic topology building blocks [Co4(O-P-O)4]n.

Synthesis, structural characterization and theoretical approach of the tri(2-(2,6-dichlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline) cobalt(II).

The crystal structure of a new coordination compound tri(2-(2,6-dichlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline) Co(II) complex ([Co(dcpip)3]Cl2) was measured with X-ray diffraction measurements. The compound is crystallizes triclinic, Pī space group. The ligand, 2-(2,6-dichlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline(dcpip), binds to Co(II) ions with a bis-dentate mode, and each Co(II) ion with a distorted octahedral coordination geometry.

Experimental and DFT studies on the vibrational and electronic spectra of 9-p-tolyl-9H-carbazole-3-carbaldehyde.

The compound 9-p-tolyl-9H-carbazole-3-carbaldehyde (HCCD) was synthesized and characterized by X-ray diffraction, FT-IR, FT-Raman and UV-Vis spectra. The X-ray diffraction study showed that HCCD has a Z-configuration. The benzene ring including methyl is twisted from the mean plane of the carbazole group by 59.

Experimental and DFT studies on the vibrational and electronic spectra and NBO analysis of 2-amino-3-((E)-(9-p-tolyl-9H-carbazol-3-yl) methyleneamino) maleonitrile.

2-Amino-3-((E)-(9-p-tolyl-9H-carbazol-3-yl) methyleneamino) maleonitrile (ACMM) was synthesized and characterized by X-ray diffraction, FT-IR, FT-Raman and UV-Vis spectra. The X-ray diffraction study showed that ACMM has a Z-configuration, due to the intramolecular C18H18A⋯N2, N3H3A⋯N2 and C20H20A⋯N4 hydrogen bonds and intermolecular C10H10A⋯N4, N3H3B⋯N9 (2-x, 2-y, 2-z) and N3H8C⋯N4 (2-x, 1-y, 2-z) hydrogen bonds. The benzene ring including methyl is twisted from the mean plane of the carbazole group by 59.

Experimental and DFT studies on the vibrational, electronic spectra and NBO analysis of thiamethoxam.

Vibrational and electronic spectral measurements were performed for 3-(2-chloro-1,3-thiazol-5-ylmethyl)-5-methyl-1,3,5-oxadiazinan-4-ylidene(nitro) amine (thiamethoxam). Optimized geometrical structure and harmonic vibrational frequencies were calculated with ab initio RHF and DFT (B3LYP, CAMB3LYP, M06 and PBE1PBE) methods with 6-311++G (d, p) basis set. Complete assignments of the observed spectra were proposed.

Two novel Cu(II) diphosphonates: structural, spectral and magnetic studies.

By introducing the second organic N-heterocyclic ligands 2,2'-bipyridine (2,2'-bipy)/1,10-phenanthroline (phen), two mono-/bi-nuclear examples of Cu(II)-diphosphonate coordination polymers based on 1-hydroxyethylidenediphosphonic acid (H5L=CH3C(OH)(PO3H2)2), [Cu(H4L)2(2,2'-bipy)]·H2O 1 and [Cu(H3L)(phen)]2·(HOCH2CH2OH)0.52, have been solvothermally obtained and characterized by powder X-ray diffraction, elemental analysis, IR, TG-DSC. The single-crystal X-ray diffractions show that both the two compounds possess zero-dimensional structures, built from mononuclear unit [CuO4N2]n for 1 and binuclear unit [-Cu-O-P-O-]2n with a double O-P-O bridge for 2 in syn-anti fashion.

Experimental and DFT studies on the vibrational and electronic spectra of 2,3-dichloro-5,6-dicyano-1,4-benzoquinone.

Vibrational and electronic spectral measurements were made for 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ). Optimized geometrical structure and harmonic vibrational frequencies were computed by DFT(B3LYP, CAMB3LYP, B3P86, M062X, mPW3PBE and PBE1PBE) using 6-311++G(d,p) basis set. Complete assignments of the observed spectra were proposed.

Facile synthesis and photo-physical properties of cyano-substituted styryl derivatives based on carbazole/phenothiazine.

Four new cyano-substituted styryl derivatives based on carbazole and phenothiazine were facilely synthesized by conventional Knoevenagel condensation and well characterized. The UV-vis spectra of these dyes showed the lowest-energy absorption bands were mainly caused by the HOMO-LUMO one-electron promotion as conformed by TD-DFT calculations. The thermogravimetric analysis showed these dyes were thermally stable up to 350 °C.

N-heterocyclic amine-directed structures and properties of two Cu(II) diphosphonates.

By introducing the second organic N-heterocyclic ligands 4'-(4-pyridyl)-4,2':6',4''-terpyridine (pyterpy) and 4,4'-bipyridyl (4,4'-bipy), two examples of Cu(II)-diphosphonates, [Cu(3)(HL)(2)(Hpyterpy)(2)]·2H(2)O 1 and [Cu(4)(HL)(2)(4,4'-bipy)(H(2)O)(5)] 2 based on 1-hydroxyethylidenediphosphonic acid (H(5)L = CH(3)C(OH)(PO(3)H(2))(2)), have been hydrothermally obtained and characterized by powder X-ray diffraction, elemental analysis, IR, TG-DSC. The single-crystal X-ray diffractions reveal that compound 1 has a one-dimensional fishbone-like chain constructed by anions [Cu(3)(HL)(2)(2-)](n) while simultaneously organic cations [Hpyterpy(+)](n) suspending both sides, and compound 2 exhibits two-dimensional inorganic-organic alternate arrangement layer built from 1-D ladder-like inorganic chain with tetranuclear cluster [Cu(4)O(10)] via 4,4'-bipy linkage. The results of electrochemical measurements indicate half-wave potential of 1 (E(1/2)(1) = 1.

catena-[[(nitrato-κO)silver(I)]-μ-1,10-phenanthroline-5,6-dione-κO,O':N,N'].

In the title one-dimensional coordination polymer, [Ag(NO(3))(C(12)H(6)N(2)O(2))](n), the Ag(I) atom is penta-coordinated by two N atoms from a 1,10-phenanthroline-5,6-dione (phen-dione) ligand, one O atom from the nitrate anion and two O atoms from another phen-dione ligand. The coordination environment around silver is slightly distorted square-pyramidal. Inter-estingly, the Ag-O distances to the phen-dione ligand are different [Ag-O = 2.