Positional isomeric effect of monobrominated ending groups within small molecule acceptors on photovoltaic performance.

As an ending acceptor unit (A) within acceptor-donor-acceptor (A-D-A)-type small molecule acceptors (SMAs), monobrominated 1,1-dicyanomethylene-3-indanone (IC-Br) plays a critical role on developing high-performance SMAs and polymer acceptors from polymerizing SMAs. IC-Br is usually a mixture (IC-Br-m) consisting of positional isomeric IC-Br-γ and IC-Br-δ (bromine substituted on the γ and δ positions, respectively). The positional isomeric effect of these monobrominated ending groups has been witnessed to take an important role on regulating the photovoltaic performance.

Synthesis and properties of a novel decacyclic S,N-heteroacene.

S,N-Heteroacene materials with fused multicyclic heteroaromatics have become increasingly attractive for organic optoelectronic device applications. In this work, the Cadogan ring-closure reaction between the benzene moiety of thieno[3,2-b]indole and 5,6-dinitrobenzo[c][1,2,5]thiadiazole was employed to prepare the novel decacyclic S,N-heteroacene 15,16-dibutyl-14,17-didodecyldithieno[2'',3'':2',3']indolo[6',7':4,5]pyrrolo[3,2-e:2',3'-g][2,1,3]benzothiadiazole (TIP), CHNS. The conjugated backbone of TIP is extended in comparison with its octacyclic analogue as the central unit within Y6-type molecular acceptors, a family of overwhelming electron acceptors in polymer solar-cell research.

Bis(thieno[3,2-]thieno)cyclopentafluorene-Based Acceptor with Efficient and Comparable Photovoltaic Performance under Various Processing Conditions.

The morphology of a bulk heterojunction (BHJ) blend within a polymer solar cell (PSC) device plays a crucial role in its performance. The ideal morphology is generally achieved through molecular engineering and optimization under film processing conditions. Under different processing conditions, the deviation of the resulted morphology characteristics from the ideal one leads to the dispersion of device performance.

A Dicyanomethylene-4H-Pyran Based NIR Ratiometric Fluorescent Probe for Diazane and its Bioimaging.

A near-infrared ICT-based fluorescent probe LX was successfully obtained. LX which detection limit is low as 22.2 nm shows excellent selectivity and high sensitivity to diazane.

A Fluorescein-Based Colorimetric and Fluorescent Probe for Hydrazine and its Bioimaging in Live Cells.

A turn-on fluorescent probe (FN) for detection of hydrazine has been developed. Probe FN exhibited high selectivity and excellent sensitivity towards hydrazine with a detection limit as low as 4.6 × 10 M.

Two new reversible naphthalimide-based fluorescent chemosensors for Hg(2.).

Naphthalimide-based fluorescent probes 1 and 2 were synthesized, and were designed to form probe-Hg complexes through Hg(2+) ions coordinated to the amide group and imidazole group. They showed high sensitivity and were selective 'naked-eye' chemosensors for Hg(2+) in phosphate buffer. The fluorescence of compounds 1 and 2 could be quenched up to 90% by the addition of Hg(2+) .

A Rhodamine-Benzimidazole Based Chemosensor for Fe(3+) and its Application in Living Cells.

A rhodamine-benzimidazole based chemosensor was designed and prepared for Fe(3+) via opening of the spiro-ring to give fluorescent and colored species. L exhibited high selectivity and excellent sensitivity in both absorbance and fluorescence detection of Fe(3+) in aqueous solution with comparatively wide pH range (5.8-7.

Structures and Luminescent Properties of Two 2D Coordination Polymers Containing Tb(III) or Dy(III) Ions.

Two 2D rare earth terbium and dysprosium coordination polymers with 2,4-pyridinedicarboxylate and oxalate anions have been synthesized by hydrothermal method, the formula is {[RE(pda)(ox)0.5(H2O)4]·2H2O}n (RE = Tb (1) and Dy (2); H2pda = 2,4-pyridinedicarboxylic acid; ox = oxalate anion). The two complexes are isomorphic and crystallized in monoclinic system, P21/c space group.

Preparation, structure and near-infrared luminescent property of Yb(III) complex with 2,4,6-pyridinetricarboxylic acid.

A rare earth ytterbium complex with 2,4,6-pyridinetricarboxylic acid (H(3)pta) has been synthesized by hydrothermal method, the formula is {[Yb(2)(pta)(2)(H(2)O)(3)]·H(2)O}(n). The complex crystallized in monoclinic system, P2(1)/c space group with lattice parameters a = 11.6556(19)Å, b = 7.

6-Benz-yloxy-2-phenyl-pyridazin-3(2H)-one.

In the title compound, C(17)H(14)N(2)O(2), the central pyridazine ring forms dihedral angles of 47.29 (5) and 88.54 (5)° with the benzene rings, while the dihedral angle between the benzene rings is 62.

1-(4-tert-Butyl-benz-yl)pyrimidine-2,4(1H,3H)-dione.

The asymmetric unit of the title compound, C(15)H(18)N(2)O(2), contains two independent mol-ecules with essentially identical geometries and conformations. The dihedral angles between the benzene and pyrimidine rings in the two mol-ecules are 89.96 (11) and 73.

Ethyl 6-(4-fluoro-phen-yl)-4-hy-droxy-2-oxo-4-trifluoro-meth-yl-1,3-diazinane-5-carboxyl-ate monohydrate.

The asymmetric unit of the title compound, C(14)H(14)F(4)N(2)O(4)·H(2)O, contains two crystallographically independent organic mol-ecules and two water mol-ecules. The two 1,3-diazinane rings adopt a half-chair conformation and the dihedral angles between their mean planes and those of the benzene rings are 75.65 (4)° and 49.

1,3-Bis(4-tert-butyl-benz-yl)pyrimidine-2,4(1H,3H)-dione.

In the crystal structure of the title mol-ecule, C(26)H(32)N(2)O(2), the six methyl groups are disordered over two positions, with site-occupancy ratios of 0.665 (8):0.335 (8) and 0.

6-Hy-droxy-4-(pyridin-3-yl)-5-(2-thienyl-carbon-yl)-6-trifluoro-meth-yl-3,4,5,6-tetra-hydro-pyrimidin-2(1H)-one.

In the title compound, C(15)H(12)F(3)N(3)O(3)S, the pyrimidine ring adopts a half-chair conformation with the mean plane formed by the ring atoms excluding the C atom bonded to thio-phene-2-carbonyl group lying nearly perpendicular to the pyridine and thio-phene rings, making dihedral angles of 84.91 (4) and 87.40 (5)°, respectively.

1,3-Bis(4-meth-oxy-benz-yl)-6-methyl-pyrimidine-2,4(1H,3H)-dione.

The title compound, C(21)H(22)N(2)O(4), was prepared by reaction of 6-methyl-pyrimidine-2,4(1H,3H)-dione and 1-chloro-methyl-4-meth-oxy-benzene. In the title mol-ecule, the central pyrimidine ring forms dihedral angles of 62.16 (4) and 69.

6-(Trifluoro-meth-yl)pyrimidine-2,4(1H,3H)-dione monohydrate.

The title compound, C(5)H(3)F(3)N(2)O(2)·H(2)O, was prepared by the reaction of ethyl 4,4,4-trifluoro-3-oxobutano-ate with urea. In the crystal, the 6-(trifluoro-meth-yl)pyrimidine-2,4(1H,3H)-dione and water mol-ecules are linked by N-H⋯O and O-H⋯O hydrogen bonds. A ring dimer structure is formed by additional inter-molecular N-H⋯O hydrogen bonds.

rac-Ethyl 4-hy-droxy-6-(2-hy-droxy-phen-yl)-2-oxo-4-(trifluoro-methyl)per-hydro-pyrimidine-5-carboxyl-ate.

In the title compound, C(14)H(15)F(3)N(2)O(5), prepared by reaction of 2-hy-droxy-benzaldehyde, ethyl 4,4,4-trifluoro-3-oxobutano-ate and urea, the tetra-pyrimidine ring adopts a half-chair conformation. The crystal structure is stabilized by five inter-molecular hydrogen bonds, three O-H⋯O and two N-H⋯O, giving cyclic dimers (through three hydrogen bonds) which are further extended into a two-dimensional network.

2-Amino-4,6-dimethyl-pyrimidin-1-ium 1-oxo-2,6,7-trioxa-1λ-phosphabicyclo-[2.2.2]octane-4-carboxyl-ate.

In the title compound, C(6)H(10)N(3) (+)·C(5)H(6)O(6)P(-), the cation and anion are linked by pairs of N-H⋯O hydrogen bonds. There are additional inter-molecular N-H⋯N hydrogen bonds, which generate centrosymmetric tetramers of two cations and two anions.

1-Benzoyl-4-(2-nitro-phen-yl)semicarbazide.

The title compound, C(14)H(12)N(4)O(4), was prepared by the reaction of 2-nitro-phenyl isocyanate with benzoyl-hydrazine. The dihedral angle between the rings is 71.49 (6)) Å.

Ethyl 6-[4-(dimethyl-amino)phen-yl]-4-hydr-oxy-2-oxo-4-(trifluoro-methyl)-hexa-hydro-pyrimidine-5-carboxyl-ate.

The title compound, C(16)H(20)F(3)N(3)O(4), was prepared by reaction of 4-(dimethyl-amino)benzaldehyde, ethyl 4,4,4-trifluoro-3-oxo-butanoate and urea. In the title mol-ecule, the pyrimidine ring adopts a half-chair conformation and there is an intra-molecular hydrogen bond (O-H⋯O). The crystal structure is stabilized by two types inter-molecular hydrogen bonds (N-H⋯O and N-H⋯N).

1,3-Bis(4-methyl-benz-yl)pyrimidine-2,4(1H,3H)-dione.

In the title mol-ecule, C(20)H(20)N(2)O(2), the central pyrimidine ring forms dihedral angles of 71.9 (1) and 69.8 (1)° with the two benzene rings.

Ethyl 4-(4-nitro-phen-yl)-2-(trifluoro-meth-yl)pyrimido[1,2-a]benzimidazole-3-carboxyl-ate.

In the title compound, C(20)H(13)F(3)N(4)O(4), the fused pyrimido[1,2-a]benzimidazole ring system is nearly planar, with a maximum deviation from the mean plane of 0.126 (1) Å. Mol-ecules are linked by C-H⋯N and C-H⋯O hydrogen bonds and by π-π inter-actions with inter-planar distances of 3.

2-Amino-1H-benzoimidazol-3-ium 4,4,4-trifluoro-1,3-dioxo-1-phenyl-butan-2-ide.

In the title compound, C(7)H(8)N(3) (+)·C(10)H(6)F(3)O(2) (-), 1H-benzoimidazol-2-amine system adopts a planar conformation with an r.m.s.

1-Allyl-3-amino-1H-pyrazole-4-carboxylic acid.

The title compound, C(7)H(9)N(3)O(2), was prepared by alkaline hydrolysis of ethyl 1-allyl-3-amino-1H-pyrazole-4-carboxyl-ate. The crystal structure is stabilized by three types of inter-molecular hydrogen bond (N-H⋯O, N-H⋯N and O-H⋯N).

4-Phenyl-1,2,3,4-tetra-hydro-pyrimido[1,2-a]benzimidazol-2-one.

In the title compound, C(16)H(13)N(3)O, the tetrahydropyrimidin-one ring adopts a sofa conformation. In the crystal structure, mol-ecules are linked by N-H⋯N hydrogen bonds and C-H⋯π inter-actions.