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A praseodymium complex, [Pr(IA)2(H2O)4]nnCl (1) (HIA = isonicotinic acid), has been prepared via a solvothermal reaction and characterized by single crystal X-ray diffraction. The praseodymium ion ...

A neodymium (Nd)–mercury (Hg) complex [Nd(IA)2(H2O)3(NO3)(HgCl2)] n ·2nH2O·nEtOH (1; IA is isonicotinic acid anion) was synthesised and characterised. Compound 1 is of monoclinic system, space group C2/c with a = 25.4224(12), b = 8.1410(3), c = 22.2963(9) Å, β = 90.788(4)°, V = 4614.1(3) Å3, C14H24Cl2HgN3NdO13, Z = 8, M r = 858.09, D c = 2.471 g/cm3, S = 1.120, μ(Mo Kα) = 9.174 mm−1, F(000) = 3256, R = 0.0530 and wR = 0.1288. The mercury (II) (Hg2+) ions are bound by two terminal chloride (Cl−) ions and two nitrogen (N) atoms, displaying a distorted tetrahedral geometry. The neodymium (III) (Nd3+) ion is coordinated with nine oxygen (O) atoms to form a monocapped square antiprismatic polyhedron. Every two neighbouring neodymium (III) ions are interlinked by two μ 3-bridging IA groups to form a one-dimensional (1D) infinite –Nd–IA2–Nd– chain. The 1D chains link to each other through HgCl2N2 tetrahedra and yield a two-dimensional layer. It emits cyan photoluminescence, which should be due to the 4 G 11/2 → 4 I 9/2 transition of the 4f electrons of the neodymium ions. It exhibits Commission Internationale de l’Éclairage chromaticity coordinates of (0.1274, 0.3525). A solid-state diffuse reflectance spectrum unveils that it has a 2.51 eV band gap.

A novel erbium material with a fascinated mercury bromide cluster (Hg11Br34)12– anion, i.e., {[Er2(H2O)4(HIA)6]2n}(nHg11Br34)(nHgBr2)·4nH2O (denoted as 1 and HIA indicates the isonicotinic acid molecule), was successfully synthesized from a solvothermal reactor. Its single crystal structure was determined by single-crystal and powder X-ray diffractions. The Er3+ ions have a distorted square antiprism motif, and they are connected by isonicotinic acid molecules to yield a one-dimensional (1-D) chain. The Hg2+ ions show two or four coordination motifs. This compound contains an unprecedented mercury bromide cluster (Hg11Br34)12– anion. This compound shows upconversion green photoluminescence emission with a CIE (Commission Internationale de I'Eclairage) chromaticity coordinates at (0.1749, 0.4351). It has a wide band gap of 3.24 eV. A novel erbium material with a fascinated mercury bromide cluster (Hg11Br34)12– anion was reported. The Er3+ ions have a distorted square antiprism motif and the compound features a 1-D chain-like structure. The Hg2+ ions show two or four coordination motifs. It features upconversion green emission with CIE coordinates 0.1749 and 0.4351. It has a wide band gap of 3.24 eV.

Two novel RE–Hg (RE = rare earth) complexes [RE(IA)3(H3O)2]2 n·2 n(HgCl4)· n(HgCl5)· nH2O·3 nH3O (RE = Y, 1; Lu, 2; IA = isonicotinic acid anion) were synthesized through hydrothermal reactions and are structurally characterized by single-crystal X-ray diffraction. The two complexes are isostructures and are characteristic of a one-dimensional chain-like structure. Both complexes are characterized by a three-dimensional supramolecular network. Photoluminescence experiments using solid-state samples show that they possess emission bands in the blue or red region. They have remarkable CIE chromaticity coordinates of (0.1172, 0.182) and (0.623, 0.3765), respectively. As a result, they are potential candidates for light-emitting materials for light-emitting diodes. They show wide optical band gaps of 3.29 eV and 2.89 eV, as revealed by the solid-state UV/Vis diffuse reflectance spectra.

A novel two-dimensional (2-D) bimetallic erbium-mercury compound {[Er(IA)(HIA)2(H2O)2]2(Hg3Br8)} n (nHgBr2)·2nNO3 (denoted as 1; HIA = isonicotinic acid; IA = isonicotinato anion) was prepared and ...

Under hydrothermal conditions, a novel bimetallic thulium–mercury compound {[Tm(H2O)2(IA)3]2n[(Hg6Br13)n]}(nHgBr2)·4nH2O·nH3O (1) (IA = isonicotinato anion) was prepared and the crystal structure was characterized by single-crystal and powder X-ray diffraction. It is characterized by a three-dimensional (3D) framework with a novel two-dimensional (2D) inorganic [(Hg6Br13)n] layer. Solid-state photoluminescence measurements revealed that compound 1 emits upconversion mazarine emission bands, which are originated from the 1G4 → 3H6 and 1D2 → 3H4 characteristic emissions of the 4f electron intrashell transitions of Tm(III) ions. An energy transfer mechanism is reported. Compound 1 displays CIE chromaticity coordinates of 0.1288 and 0.0635 in the mazarine region. A solid-state UV–Vis–NIR diffuse reflectance spectrum unveiled that compound 1 has a wide optical band gap of 2.69 eV. A thermogravimetry analysis measurement is also reported. A novel bimetallic thulium–mercury compound was prepared and characterized. It features a 3D framework with a novel 2D inorganic [(Hg6Br13)n] layer. It contains many mercury(II) ions with four different coordination environments. It emits upconversion mazarine photoluminescence emission peaks, which could be attributed to the 1G4 → 3H6 and 1D2 → 3H4 characteristic emissions of the 4f electron intrashell transitions of the Tm(III) ions. An energy level diagram was used to explain the energy transfer mechanism. It has CIE chromaticity coordinates of 0.1288 and 0.0635 in the mazarine region, and it possesses a wide optical band gap of 2.69 eV.

A new compound [Gd(H2O)4(HIA)2(NO3)](2NO3) (1; HIA is isonicotinic acid) is reported. The Gd3+ cation is coordinated by eight oxygen atoms and exhibit a square antiprismatic GdO8 geometry. A three-...

A novel compound {[Er(IA)3(H3O)2]3n}(nHgCl5)(0.5nHg2Cl6)(2nCl)·16nH2O (1; HIA = isonicotinic acid) was prepared. The erbium(III) cations are coordinated by eight oxygen atoms and display a square a...

Both ferroelectric and switchable dielectric behaviors are of great academic value and practical significance, but they usually exist alone. If combine the two properties into one compound, it will be more valuable in practical application. In this paper, quasi-spherical (2-bromoethyl) trimethylammonium cation was used to match with [CdBr4 ]2- anion, and a new organic-inorganic hybrid compound ([BrCH2 CH2 N(CH3 )3 ]+2 [CdBr4 ]2- , BETABCdBr) was obtained and carefully characterized. The results indicate that this compound undergoes two continuous reversible phase transition around 342 K and 390 K. It could respectively exhibit ferroelectric and switchable dielectric properties over different temperature range. This work may provide a new clue to explore new types of bifunctional phase transition smart materials to meet various application requirements.

Under hydrothermal conditions, a new zinc compound, [Zn(2,2’-bpy)3]2S·16H2O·2OH (1) (2,2’-bpy = 2,2’-bipyridine) was synthesized and structurally characterized by using a single-crystal X-ray diffr...

A novel cadmium bipyridine complex, [Cd(bipy)3(H2O)2]n·2n(Et-Bipy)·n(bipy)·2nCl (1) (bipy = 4,4’-bipyridine, Et = ethyl group), has been prepared via a solvothermal reaction and structurally charac...

A novel 4f-5d compound [Tb(HIA)2(IA)(H2O)2(HgCl2)]n(nHgCl4)·3nH2O (1, IA = isonicotinate anion) has been prepared and structurally determined by X-ray diffraction. Complex 1 crystallizes in the P21/c space group of the monoclinic system with a = 9.6875(3), b = 19.8318(7), c = 17.0899(5) A, β = 101.609(3)o, V = 3216.16(18) A3, C18H24Cl6Hg2N3O11Tb, Mr = 1231.20, Z = 4, Dc = 2.543 g/cm3, μ(MoKα) = 12.251 mm–1 and F(000) = 2272. The crystal structure of complex 1 is characterized by a two-dimensional (2-D) layer-like structure. The photoluminescence measurements with solid-state samples reveal that it exhibits a yellowish green emission with the emission bands locating at 490, 546, 586 and 620 nm, respectively. The photoluminescence emission bands are resulted from the characteristic emission of the 4f electrons intrashell transition of the 5D4 → 7FJ (J = 6, 5, 4, 3) of the Tb3+ ion. The energy transfer mechanism is explained by using the energy level diagram of the Tb3+ ion and isonicotinic acid ligand. Complex 1 exhibits CIE chromaticity coordinates being of 0.3823 and 0.5141. A solid-state diffuse reflectance measurement shows that the complex possesses a wide optical band gap of 2.67 eV. A novel 4f-5d compound featuring a 2-D layer-like structure has been reported for the crystal structure and properties.

Using a hydrothermal reaction, a novel 4f–5d isonicotinic acid complex {[Tb2(IA)6(H2O)4](Hg3Cl7)} n( nHgCl4)· nCl·4 nH3O (1, HIA = isonicotinic acid) was synthesized and it was characterized by single crystal X-ray diffraction technique. Compound 1 is characterized by a two-dimensional layer-like structure. The photoluminescence measurement using solid-state samples uncovered that it shows four emission peaks at 489, 546, 587, and 622 nm, of which the peak at 546 nm is the strongest. These peaks could be assigned to the 5 D4 → 7 F6, 5 D4 → 7 F5, 5 D4 → 7 F4, and 5 D4 → 7 F3 transitions of the Tb3+ ions, respectively. The energy transfer mechanism of the photoluminescence emission was described by means of the energy level scheme of the Tb3+ ions and the isonicotinic acid ligand. Compound 1 shows remarkable CIE (Commission Internationale de I’Éclairage) chromaticity coordinates of (0.3633, 0.5038) in the yellowish green region. Compound 1 possesses a wide semiconductor band gap of 2.97 eV, as unveiled by the solid-state UV-Vis diffuse reflectance experiment.

A hydrothermal reaction results in the formation of a novel [Pr2(2,5-PA)2(2,5-HPA)2(H2O)4] n·2 nH2O complex (2,5-H2PA = 2,5-pyridinedicarboxylic acid). The complex is structurally characterized by single-crystal X-ray diffraction and crystallizes in the space group P21 of the monoclinic system with two formula units in one cell. This praseodymium complex is characterized by a two-dimensional layered structure. A solid-state photoluminescence experiment reveals that the praseodymium complex shows an emission in the red region. The complex has Commission Internationale de I’Éclairage chromaticity coordinates of 0.5495 and 0.4492. The photoluminescence emission bands could be assigned to the characteristic emission of the 4 f electron intrashell transition of the 3 P0 → 3 H5, 1 D2 → 3 H4, 3 P0 → 3 H6, 3 P0 → 3 F2, and 3 P1 → 3 F3 of the Pr3+ ions. The energy transfer mechanism is explained by the energy level diagrams of the praseodymium ions and the 2,5-H2PA ligand. A solid-state diffuse reflectance measurement shows that the complex possesses a wide optical band gap of 3.48 eV.

Porphyrins and metalloporphyrins can generally show attractive structural motifs and interesting properties. A new copper porphyrin, namely poly[[μ-chlorido-[μ5-5,10,15,20-tetrakis(pyridin-4-yl)-21H,23H-porphine]tricopper(I)] [aquadichloridocopper(II)]], {[Cu3(C40H24N8)Cl][CuCl2(H2O)]} n (1), was synthesized by the self-assembly of copper chloride with 5,10,15,20-tetrakis(pyridin-4-yl)-21H,23H-porphine under solvothermal conditions. The structure of this copper porphyrin was characterized by single-crystal X-ray crystallography and elemental analysis. The porphyrin macrocycle shows a distorted saddle geometry, with the four pyrrole rings slightly distorted in an alternating mode either upwards or downwards. The copper ions show three-coordinated triangular and four-coordinated square-planar geometries. Every copper–porphyrin unit connects to 12 others via four μ4-bridging Cu2Cl moieties to complete the three-dimensional framework of compound 1, with isolated CuCl2(H2O) units located in the voids. This copper porphyrin displays a red photoluminescence. Electrochemical measurements showed that compound 1 has two redox waves (E 1/2 = −160 and 91 mV).

By means of hydrothermal reactions, a novel terbium–mercury compound, {[Tb(IA)3(H3O)2]2n[2n(HgCl4)][n(HgCl5)]}·3nH3O·nH2O (1) (HIA = isonicotinc acid) was prepared and structurally characterized by...

A new dysprosium complex [Dy(IA)2(H2O)4]nnNO3 (1; IA is isonicotinic acid anion), was synthesized. The structure was determined by single-crystal X-ray crystallography. Every two neighborin...

The complex (Ho(IA)3(H3O)(H2O)) n(0.5 nHg2I6) (HIA = isonicotinic acid) has been synthesized via a hydrothermal reaction and has a one-dimensional (1D) chain-like structure. It has an emission band in the green region of 542 nm, which could originate from the 5 S2 → 5 I8 transition of the Ho3+ ion. The compound possesses Commission Internationale de I’Éclairage chromaticity coordinates of (0.2065, 0.4969) and has a wide optical band gap of 2.32 eV, as found by solid-state UV-Vis diffuse reflectance measurements.

A novel 4f–5d compound [Ho(H2O)2(μ-IA)3Hg3Br6]n (1, HIA = isonicotinic acid) was prepared. It is characterized by single-crystal X-ray diffraction. The title compound crystallizes in the space group P21/n of the monoclinic system. The holmium ion is coordinated by six oxygen atoms to yield a slightly distorted tetragonal antiprism configuration. Three crystallographically independent mercury ions exhibit two different coordination environments, i.e., tetrahedron geometry and square pyramidal configuration. In the title compound, there are two types of one-dimensional (1D) chains, namely Hg–Br chains and Ho–IA chains. Both chains are interconnected by the μ3-bridging isonicotinic acid ligands to form a three-dimensional (3D) frame structure. Photoluminescence from solid samples showed that the title compound could emit up-conversion red fluorescence, and its half-peak width was about 14 nm. The emission peak comes from its characteristic emission of 5F5 → 5I8 of Ho3+. The CIE color coordinates of the title compound are (0.693, 0.307). The title compound displays a broad semiconductor gap being of 2.47 eV, as discovered by the solid-state diffuse reflection. A novel 4f–5d compound has been prepared. It features a 3D framework structure. It displays a red up-conversion photoluminescence emission band. Diffuse reflection spectrum with solid-state sample shows that it possesses a wide optical band gap of 2.47 eV.

One cadmium-bipyridinium compound, (CdCl4)(CH3-4,4′-Hbipy-CH2CH3)2 (1) with the CH3-4,4′-Hbipy-CH2CH3 generated in situ, has been synthesized from a solvothermal reaction and structurally character...

Two new lanthanide-mercury complexes [Eu(HIA)2(H2O)2Hg2Cl5(IA)]nn(HgCl2)·2nH2O·nCl (1) and [Tb(HIA)2(H2O)2Hg2Cl5(IA)]nn(HgCl2)·2nH2O·nCl (2) (HIA = isonicotinic acid) have been prepared through hydrothermal reactions and structurally determined by single crystal X-ray diffraction. 1 and 2 are isostructural and have a two-dimensional (2-D) layer structure. Solid-state UV/Vis diffuse reflectance spectroscopy shows that there is a wide optical band gap of 3.42 and 3.44 eV for 1 and 2. Photoluminescence measurement of solid-state samples revealed that 1 and 2 exhibit red or green emission, respectively. The photoluminescence bands originate from the characteristic 4f-electron intrashell transitions of 5D1 → 7F1 and 5D0 → 7FJ (J = 1, 2 and 4) (Eu3+: J = 1, 2, 4) for 1, and 5D4 → 7FJ (Tb3+: J = 3, 4, 5, 6) for 2. Energy transfer mechanism is explained by the energy level diagram of the Eu3+ and Tb3+ ions and of the isonicotinic acid ligand. The complexes have CIE chromaticity coordinates of (0.59, 0.35) and (0.29, 0.48) for 1 and 2, respectively.

Organic–inorganic hybrid metal halides with temperature-triggered responsive switchable dielectric properties have evoked great attention for their potential application in the field of optoelectronic information. Here, we present a new organic–inorganic hybrid metal halide switchable dielectric material, [(C3H5)2N(CH3)2]2SnCl6 (1), which is obtained by the reaction of diallyldimethylaminium chloride and tin(IV) chloride pentahydrate. Compound 1 exhibits excellent high-temperature switchable dielectric performance and antifatigue. Notably, 1 also exhibits multifunctionality with semiconducting and photoluminescence property. Such a Sn(IV)-based organic–inorganic hybrid with outstanding switchable dielectric, semiconducting, and photoluminescence characteristics will pave a new approach in the development of Sn(IV)-based metal halides with practical applications.

A novel polyoxomolybdate with a diprotonated porphyrin as counter-cation, namely, 5,10,15,20-tetrakis(4-carboxyphenyl)-21H,22H,23H,24H-porphine(2+) hexamolybdate(VI) pentahydrate, (C48H32N4O8)[Mo6O19]·5H2O or (H2TCPP)[Mo6O19]·5H2O, I, was prepared via the hydrothermal reaction of MoCl5, 5,10,15,20-tetrakis(4-carboxyphenyl)-21H,23H-porphine (TCPP) and distilled water. The crystal structure of hydrated polyoxometalate (POM) salt I was characterized by single-crystal X-ray diffraction. The compound is characterized by an isolated (zero-dimensional, 0D) structure, because it cannot extend via covalent bonds. The structure contains one [Mo6O19]2− anion, one (H2TCPP)2+ cation and five lattice water molecules. Each of the Mo6+ ions is six-coordinated and displays a distorted octahedral motif. The (H2TCPP)2+ cation displays a distorted saddle motif. A three-dimensional (3D) supramolecular framework is formed via hydrogen-bonding interactions. The compound shows a red photoluminescence emission.

A novel samarium complex {[Sm(IA)3(H3O)2]2n}(2nHgCl4)(nHg2Cl5)·nH3O·3nH2O (1) (HIA = isonicotinc acid) has been synthesized under solvothermal condition and structurally characterized by single-crystal X-ray diffraction. It possesses a one-dimensional (1-D) chain-like structure. Solid-state photoluminescence measurement shows that it displays red light emission bands. The emission bands result from the characteristic emissions of the 4f electrons intrashell transitions of 4G5/2 → 6HJ (J = 5/2, 7/2, 9/2 and 11/2) of the samarium(III) ions. Energy transfer mechanism is explained by the energy level diagram of the samarium(III) ion and isonicotinic acid ligand. Complex 1 has a remarkable CIE chromaticity coordinate of (0.6182, 0.3813); so, it is a potential candidate for red light emitting materials for light emitting diodes (LEDs). Solid-state UV/Vis diffuse reflectance spectrum reveals that complex 1 has a wide optical band gap of 3.23 eV.

Two novel lanthanide-mercury compounds [Ln(IA)3(H2O)2]n(Hg3Cl9)n·4nH2O (Ln = Eu (1) and Tb (2); IA = isonicotinic acid) have been synthesized under solvothermal conditions and structurally characterized by single-crystal X-ray diffraction. Both complexes exhibit one-dimensional (1D) chain-like structure with a novel isolated (Hg3Cl9)3– anion. Solid-state diffuse reflectance spectroscopy reveals the presence of wide optical band gaps of 2.81 eV and 3.47 eV, suggesting that they are potentially wide band gap organic semiconductor materials. Solid-state photoluminescence measurements uncover that they show red or green light emission bands, respectively. The emission bands can be assigned to the characteristic emission of the 4f electrons intrashell transitions of 5D0 → 7FJ (Eu3+, J = 2 and 4) and 5D4 → 7FJ (Tb3+, J = 6, 5, 4 and 3), respectively. Energy transfer mechanism is explained by the energy level diagram of Eu3+ ion, Tb3+ ion and isonicotinic acid ligand. The title compounds have remarkable CIE chromaticity coordinates of (0.6438, 0.3559) and (0.3172, 0.4773). This suggests that they may be potential candidates with red or green light emitting materials for white light emitting diodes (LEDs).

A terbium material is prepared under hydrothermal conditions and structurally characterized by X-ray diffraction technique. This compound is characterized by an isolated structure. Solid-state photoluminescence measurement discovers that it shows a strong emission in the green region. The sharp bands at 490, 544, 585, and 620 nm correspond to the characteristic emission 5D4–7FJ transitions (J = 6, 5, 4, and 3, respectively) of the Tb3+ ions. Solid-state diffuse reflectance spectrum reveals that the existence of a wide optical bandgap of 4.83 eV, indicating that it is potentially a wide band-gap semiconductor. Magnetic properties of the compound are investigated. The magnetic susceptibility obeys the Curie–Weiss law (χm = c/( T− θ)) with c = 10.55(8) K and a negative Weiss constant θ = − 1.11(7) K; this suggests the presence of an antiferromagnetic interaction in this compound. A terbium compound has been prepared and it features an isolated structure. Solid-state photoluminescence measurement reveals that it shows a strong emission in the green region. Solid-state diffuse reflectance spectrum reveals an optical bandgap of 4.83 eV. Magnetic properties discover that it features antiferromagnetic interaction.

A series of novel 4f-3d crystalline porphyrinic compounds, {[Co(TPPS)]2[Ln(Histidine)(H2O)][Ln(H3O)3]}n·nH2O (Ln = Sm (1), Eu (2), Dy (3); TPPS = 5,10,15,20-tetra(4-sulfonatophenyl)porphyrinato) with TPPS and histidine as mixed ligands, have been prepared and characterized by single-crystal X-ray diffraction technique. Complexes 1–3 are isomorphous and characteristic of a three-dimensional (3D) framework with the lanthanide ions in two kinds of coordination geometries, i.e., eightfold square antiprism and ninefold monocapped square antiprism. The porphyrin macrocycles adopt a saddle-distorted nonplanar conformation with an embedded cobalt ion binding to four pyrrole nitrogen atoms. As revealed by the photoluminescence measurement, they exhibit blue emission. Variable-temperature magnetic susceptibility reveals that complexes 1–3 are antiferromagnetic. Their FTIR, CV, DPV, and UV/vis results are also studied in detail.

A novel europium complex with the mixed ligands of 1-methyl-3,5-bis(4′-carboxy-phenyl)-1,2,4-triazole (mbcpt) and p-phthalic acid (pa), [Eu2Cl2(H3O)2(μ4-mbcpt)2(μ4-pa)]n (1), has been synthesized under the solvothermal conditions and structurally characterized by single-crystal X-ray diffraction. Complex 1 exhibits a three-dimensional (3-D) metal-​organic framework. The 3-D open framework features a 2-fold-interpenetrated network. Solid-state diffuse reflectance spectroscopy uncovers the presence of a wide optical band gap of 3.56 eV, indicating that it is a wide band gap organic semiconductor material. Solid-state photoluminescence measurement reveals that complex 1 shows red light emission bands locating at 602, 611, 642 and 690 nm, which can be assigned to the 5D0 → 7FJ (Eu3+) with the value of J = 1, 2, 3 and 4, respectively. Magnetic measurements reveal that complex 1 shows an antiferromagnetic behavior.

Two novel mercury-lanthanide complexes [Hg3Cl6(u-IA)3Ln(H2O)2]n (IA = isonicotinic acid anion; Ln = Pr (1) and Sm (2)) have been synthesized under hydrothermal conditions and structurally determined by single crystal X-ray diffraction. Complexes 1 and 2 are isostructure and feature a three-dimensional (3-D) open framework with two types of one-dimensional (1-D) chains. Based on the condensed 3-D open framework, there is a large void space being 1010.3 A3 and 1018.1 A3 which occupy 27.2% and 27.4% of the unit-cell volume for complexes 1 and 2, respectively. Solid-state UV/Vis diffuse reflectance spectroscopy reveals that there is a wide optical band gap of 3.51 eV and 3.54 eV for complexes 1 and 2, respectively. Photoluminescence measurements using solid-state samples discover that both complexes display red light emission. The emission bands can be ascribed to the characteristic emission of the 4f electron intrashell transitions of the Ln3+ ions, i.e. 1D2 → 3H4 and 3P0 → 3F3 transitions for complex 1, as well as 4G5/2 → 6H5/2, 4G5/2 → 6H7/2 and 4G5/2 → 6H9/2 transitions for complex 2.

Three new mercury coordination polymers, [HgCl2(Hmtz)]n (1), (2) and [Hg2(mtz)4]n (3), were successfully prepared from HgCl2 and 5-methyltetrazole (Hmtz) and characterized by elemental analysis, thermal analysis, luminescence, theoretical calculation, powder X-ray diffraction and single-crystal X-ray diffraction. The results reveal that 1 and 2 are isomers resulted from different one dimensional (1D) mercury halides chains, and they are all 3D supramolecular structures. Complex 3 possesses a 2-fold interpenetrated diamondoid network with intersecting channels. Time-dependent density functional theory (TDDFT) calculations reveal that the mechanisms of the fluorescence emission are dominantly resulted from the ligand-to-metal charge transfer (LLCT) and partial ligand-to-ligand charge transfer (LLCT) for 1 and 2, but ligand-to-metal charge transfer (LMCT) for 3, which is in good agreement with their different fluorescence spectra and crystal structures. Optical absorption spectra indicate that complexes 1–3 have wide optical band-gaps and can be probably used as wide optical band-gap semiconductor materials.

In this study, the cDNA of homocysteine S-methyltransferase was isolated from Aegilops tauschii Coss., with the gene accordingly designated as AetHMT1. Similar to other methyltransferases, AetHMT1 contains a GGCCR consensus sequence for a possible zinc-binding motif near the C-terminal and a conserved cysteine residue upstream of the zinc-binding motif. Analysis of AetHMT1 uncovered no obvious chloroplast or mitochondrial targeting sequences. We functionally expressed AetHMT1 in Escherichia coli and confirmed its biological activity, as evidenced by a positive HMT enzyme activity of 164.516 ± 17.378 nmol min-1 mg-1 protein when catalyzing the transformation of L-homocysteine. Compared with the bacterium containing the empty vector, E. coli harboring the recombinant AetHMT1 plasmid showed much higher tolerance to selenate and selenite. AetHMT1 transcript amounts in different organs were increased by Na2SeO4 treatment, with roots accumulating higher amounts than stems, old leaves and new leaves. We have therefore successfully isolated HMT1 from Ae. tauschii and characterized the biochemical and physiological functions of the corresponding protein.

A new inorganic-organic hybrid complex based on well-defined Keggin-type polyoxometalates and copper-lutidine assemblies, namely, [Cu3(3,5-Lutidine)6(PW12O40)]n (1), has been obtained under hydrothermal conditions and characterized by elemental analysis and single crystal X-ray diffraction. The X-ray diffraction analysis reveals that compound 1 is three-dimensional (3D) supramolecular structure with ‘sql’ topological 2D layer. The photocatalytic experiments indicate that 1 exhibit good catalytic activity for photodegradation of Rhodamine B (RhB) with UV irradiation. The thermal stabilities and fluorescent properties of this complex have also been studied.

The first 5,10,15,20-tetra-(4-(triazol-1-yl)phenyl) porphyridine complex, [Zn[Formula: see text]Cl[Formula: see text](5,10,15,20-tetra-(4-(triazol-1-yl)phenyl)porphyridine)][Formula: see text]Cl•[Formula: see text]H[Formula: see text]O•7[Formula: see text]H[Formula: see text]O (1) has been synthesized via solvothermal reactions and characterized by single-crystal X-ray diffraction. Complex 1 is characteristic of a one-dimensional (1-D) structure, consisting of neutral [Zn[Formula: see text]Cl[Formula: see text](5,10,15,20-tetra-(4-(triazol-1-yl)phenyl) porphyridine)][Formula: see text] chains, isolated chloride ions and lattice water molecules. The zinc ion is in a four-coordinated tetrahedral geometry, and the porphyrin macrocycle is saddle-distorted. Photoluminescence measurement with solid-state samples discovers that it exhibits an emission in the green region of the light spectrum. Time-dependent density functional theory (TDDFT) calculation discovers that this emission can be attributed to the [Formula: see text]–[Formula: see text]* charge transfer. The cyclic voltammetry (CV) measurement reveals that it possesses an oxidation peak at 0.37 V.

A novel neodymium porphyrin [Nd(TPPS)][Formula: see text]•[Formula: see text]H[Formula: see text]O (1) [H[Formula: see text]TPPS [Formula: see text] tetra(4-sulfonatophenyl)porphyrin] has been prepared through a solvothermal reaction and characterized by the X-ray single-crystal diffraction technique. Complex 1is crystallized in the [Formula: see text]4/mcc space group of the tetragonal system. Complex 1 features a three-dimensional (3D) open framework with the pore size of the channels being of 6.9 [Formula: see text] × 8.2 [Formula: see text]. A wide optical band gap of 4.98 eV is revealed by the solid-state UV/vis diffuse reflectance spectrum. The variable-temperature magnetic susceptibility obeys the Curie-Weiss law ([Formula: see text]/([Formula: see text] with [Formula: see text] 0.67 K and a negative Weiss constant [Formula: see text] -0.37 K as found by the magnetic measurements, suggesting the existence of an antiferromagnetic behavior. The N[Formula: see text] adsorption and desorption curves show good reversibility and verify that the 3-D framework is flexible and can be compressed with the increasing pressure.

A manganese complex with mixed ligands, [Mn(2,2′-biim)2(4,4′-bipy)] n[Mn(2,2′-biim)3]2 n6 n(ClO4)•8 nH2O (2,2′-biim = 2,2′-biimidazole; 4,4′-bipy = 4,4′-bipyridine), has been obtained by a hydrothermal procedure and its structure determined by single-crystal X-ray crystallography. A two-dimensional (2-D) supramolecular layer is established through hydrogen-bonding interactions. Solid-state photoluminescence measurement reveals that this complex shows a blue light emission. Solid-state diffuse reflectance determination uncovers the presence of a narrow optical band gap of 2.18 eV in this complex.

A new multifunctional mixed-valence copper(I/II) coordination polymer, {[CuCN][Cu(isonic)2]}n (1) (Hisonic = isonicotinic acid), was synthesized by treating isonicotinic acid and 5-amino-tetrazolate (Hatz = 5-amino-tetrazolate) with copper(II) salts under hydrothermal conditions, and characterized by elemental analysis, infrared spectroscopy, and single crystal X-ray diffraction, respectively. The X-ray diffraction analysis reveals that compound exhibit noncentrosymmetric polar packing arrangement. It is three-dimensional (3D) framework with (3,5)-connected ‘seh-3’ topological network constructed from metal organic framework {[Cu(isonic)2]}n and the inorganic linear chain{Cu(CN)}n subunits. A remarkable feature of 1 is the rhombic open channels that are occupied by a linear chain of {Cu(CN)}n. Impressively compound 1 displays not only a second harmonic generation (SHG) response, but also a ferroelectric behavior and magnetic properties.

A novel cadmium compound, [(CdI3)2(μ2-I)]2(Me2-4,4'-H2bipy)3 (1) (Me = methyl; 4,4'-bipy = 4,4'-bipyridine) with the Me2-4,4'-H2bipy moiety generated in situ, has been prepared through a solvothermal reaction and structurally characterized by X-ray single crystal diffraction analysis. Compound 1 is characterized by an isolated structural motif, consisting of [(CdI3)2(μ2-I)]3– anions and Me2-4,4'-H2bipy2+ cations. The [(CdI3)2(μ2-I)]3– anions and Me2-4,4'-H2bipy2+ cations interconnect together via C–H···I hydrogen-bonding interactions to complete a three-dimensional (3D) supramolecular network. Solid state fluorescent spectrum reveals an emission band in the violet region.

Purple pericarp is an interesting and useful trait in Triticum aestivum, but the molecular mechanism behind this phenotype remains unclear. The allelic variation in the MYB transcriptors is associated with the phenotype of pigmented organs in many plants. In this study, a MYB transcription factor gene, TaMYB3, was isolated using homology-based cloning and a differentially expressed gene mining approach, to verify the function of the MYB transcriptor in the purple pericarp. The coding sequence of TaMYB3 in cultivar Gy115 was the same as that in cultivar Opata. TaMYB3 was localized to FL0.62–0.95 on chromosome 4BL. The TaMYB3 protein contains DNA-binding and transcription-activation domains, and clustered on a phylogenetic tree with the MYB proteins that regulates anthocyanin and proanthocyanin biosynthesis. TaMYB3 localized in the nuclei of Arabidopsis thaliana and wheat protoplasts after it was transiently expressed with PEG transformation. TaMYB3 induced anthocyanin synthesis in the pericarp cells of Opata in the dark in collaboration with the basic helix–loop–helix protein ZmR, which is also the function of ZmC1. However, TaMYB3 alone did not induce anthocyanin biosynthesis in the pericarp cells of the white grain wheat cultivar Opata in the light after bombardment, whereas the single protein ZmR did. Light increased the expression of TaMYB3 in the pericarp of Gy115 and Opata, but only induced anthocyanin biosynthesis in the grains of Gy115. Our results extend our understanding of the molecular mechanism of the purple pericarp trait in T. aestivum.

We report a new flexible switchable dielectric composite film toward practical application in devices based on β-phase-dominated PVDF modified with single-protonated 1,4-diazabicyclo[2.2.2]octane fluoborate (DabcoHBF4). Our study suggested that incorporating polar molecular filler (DabcoHBF4) into β-phase-dominated PVDF is an effective method to fabricate switchable dielectric thin film, which could avoid sophisticated operation in cultivating bulk crystals of molecular materials. The composite film with 40% of DabcoHBF4 (0.40BF) could exhibit large dielectric change between high and low dielectric states comparable to that of pure DabcoHBF4 at phase-transition temperature. We postulated that the excellent switchable dielectric property of 0.40BF was attributed to the induced orientation alignment of β-phase-dominated PVDF and dielectric confinement effect.

Two novel porphyrinic compounds, {Zn[TCPP(CH2CH3)2(CH3)2]} n ( 1 ) and TCPP(CH3)4 ( 2 ) (TCPP = meso -tetra(4-carboxyphenyl)porphyrin), with the TCPP(CH2CH3)2(CH3)2 and TCPP(CH3)4 generated in situ , have been synthesized via a solvothermal reaction and structurally characterized by single-crystal X-ray diffraction. Compound 1 is characteristic of a two-dimensional (2-D) coordination polymer, based on the zinc ion coordinating to four nitrogen atoms and two oxygen atoms. Compound 1 possesses a large void space (220 A3) corresponding to 4.6% of the unit-cell volume. Compound 2 is characterized by an isolated structure. The reaction mechanism of preparing both compounds was explored. The photoluminescence properties, FT-IR, UV-vis absorption spectra, fluorescence lifetime and fluorescence quantum yield of TCPP were also reported.

Red coleoptile is an easily observed trait in Triticum aestivum and can provide some protection against stress. Here, TaMYB-A1 or TuMYB-A1, homologous to TaMYB-D1, which controls red coleoptile formation in the common wheat cultivar ‘Gy115’, was isolated from eight T. aestivum and 34 T. urartu cultivars. The genome sequence of TaMYB-A1 was 867 bp with an intron of 93 bp, which was similar to the MYBs regulating anthocyanin biosynthesis in T. aestivum but different from other MYB transcription factors regulating anthocyanin biosynthesis. TaMYB-A1 had an integrated DNA-binding domain of 102 amino acids and a transcriptional domain of 42 amino acids, which was responsible for regulating anthocyanin biosynthesis. TaMYB-A1 was assigned to the same branch as the MYBs regulating anthocyanin biosynthesis in a phylogenetic tree. A transient expression analysis showed that TaMYB-A1 induced ‘Opata’ coleoptile cells to synthesize anthocyanin with the help of ZmR. A non-functional allele of TaMYB-a1 existed in common wheat cultivars containing rc-a1. One single nucleotide was deleted 715 bp after the start codon in TaMYB-a1 compared with TaMYB-A1. The deletion caused a frame shift mutation, destroyed the DNA transcription activator domain, and resulted in TaMYB-a1 losing its ability to regulate anthocyanin biosynthesis in ‘Opata’ coleoptile cells. Those cultivars with functional TaMYB-A1 or TuMYB-A1 have red coleoptiles. The isolation of TaMYB-A1 should aid in understanding the molecular mechanisms of coleoptile traits in T. aestivum.

Under hydrothermal conditions, a novel europium complex [Eu(H2O)2 (Me-IN)3]n·2nH2O·3nClO4 (1; Me ​= ​methyl; IN ​= ​isonicotinic acid) was synthesized in situ and characterized. Complex 1 crystallizes in the monoclinic space group P21/c with four formula units in one cell. Complex 1 is characterized by a one-dimensional (1-D) chain-like structure. The solid state photoluminescence emission is in the red region and the emission peaks should come from the 5D0 → 7F1, 5D0 → 7F2 and 5D0 → 7F4 characteristic emission of the Eu(III) ions. It has a CIE (Commission Internationale de L’Eclairage) chromaticity coordinates of (0.5442, 0.4444). A solid-state UV–visible diffuse reflectance spectrum unveiled that it possesses a wide optical band gap of 4.98 ​eV.

Series of novel lanthanide complexes [Ln(4-carboxybenzenesulfonate)(H2O)5]nnCl (Ln = Sm (1), Gd (2), Dy (3)) have been synthesized through solvothermal reactions and the structures were characterized by single-crystal X-ray diffraction. They are isostructural with a ladder-shaped one-dimensional (1-D) double chain structure. The solid-state photoluminescence measurements reveal that complexes 1 and 2 display emission bands in yellow and ultraviolet region, while complex 3 shows an upconversion emission band in the green region. These emission bands are resulted from the characteristic emissions of the 4f electron intrashell transition of the 4G5/2 → 6HJ (J = 5/2, 7/2, 9/2; Sm(III) ions in 1), 6P5/2 → 8S7/2 (Gd(III) ions in 2) and 4F9/2 → 6H13/2 (Dy(III) ions in 3). Complexes 1 and 3 possess CIE (Commission Internationale de I'Eclairage) chromaticity coordinates of (0.518, 0.4806) and (0.3318, 0.6483), respectively. The CCT (Correlated Color Temperature) are 2415 K and 5609 K for complexes 1 and 3. The solid-state UV/visible diffuse reflectance spectra reveal that complexes 1, 2 and 3 have optical band gaps of 1.5 eV, 4.6 eV and 3.3 eV, respectively.