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Abstract Different structures and different Ag+-response behaviors of a pair of pyrene-based S-containing atropisomers, namely s -BSPPy and a -BSPPy , have been investigated. The calculated high rotation barrier indicates that the two atropisomers are non-interconvertible. In polar solvents, s -BSPPy exhibits excimer emission but a -BSPPy does not. Based on the X-ray structures and the DFT calculated intermolecular interactions, the excimer of s -BSPPy is suggested to take a non-parallel edge-to-face λ -shaped geometry. Especially, s -BSPPy exhibits ratiometric excimer-off and monomer-on emission as a unique response to Ag+ in solutions, while no ratiometric Ag+-response was observed for a -BSPPy. Graphical abstract Unlabelled Image Highlights • In solution, s -BSPPy exhibits excimer emission, a -BSPPy does not. • Edge-to-face λ -shaped excimer of s -BSPPy. • s -BSPPy shows excimer-to-monomer emission in response to Ag+, a -BSPPy does not. • s -BSPPy and a -BSPPy atropisomers are non-interconvertible. [ABSTRACT FROM AUTHOR]

Abstract: A series of Ln(III)-Ag(I) 4d–4f heterometallic coordination polymers [LnAg(oba)2(H2O)]n (Ln=Dy 1, Ho 2, Er 3) have been synthesized under hydrothermal reactions of 4,4′-oxybis(benzoicacid) (H2oba) with Ln(NO3)3 ·6H2O and AgNO3 at 180°C. All complexes are isostructural with 3D networks expanded from 1D zigzag chains and 2D layers. In addition, the luminescent property of compound 1 was investigated in the solid-state at room temperature. [Copyright &y& Elsevier]

Abstract: Two different types of novel lanthanide coordination polymers constructed from 5-nitroisophthalic acid, and picolinic acid as auxiliary ligand, namely, {[Ln2(nip)2(pic)2(H2O)]}n (type I, Ln=Pr 1, Nd 2, Sm 3, Eu 4, and H2nip=5-nitroisophthalic acid, Hpic=picolinic acid), and {[Ln4(nip)5(pic)2(H2O)2]·2H2O}n (type II, Ln=Tb 5, Dy 6, Ho 7, Er 8), have been hydrothermally synthesized and characterized by IR, elemental analysis, thermogravimetric analysis (TGA), single-crystal X-ray diffraction analyses and powder X-ray diffraction (PXRD). Complexes 1–4 (type I) are isostructural and the infinite 1D Sm-carboxylate chains are bridged by pia ligands to form 2D sheets, such sheets are further united together to generate a 3D supramolecular structure. Complexes 5–8 (type II) are isostructural and the infinite 1D Tb–carboxylate chains are bridged by pia ligands to form 2D sheets, such sheets are further united together to generate a 3D supramolecular structure. Furthermore, the luminescence properties of compounds 4 and 5 have also been studied. [Copyright &y& Elsevier]

Graphical abstract An organic–inorganic hybrid crystal 1-benzyl-4′-aminopyridinium tetrachlorocadmate(II) was synthesized successfully and characterized by single crystal XRD, powder XRD and TG-DTA-MS technique. Theoretical calculations were performed using density functional theory (DFT) for studying the molecular structure, intermolecular energy, UV–Vis, vibrational spectra and nonlinear optical (NLO) properties of the title crystal. Further, the title compound exhibits strong fluorescence emission at 394, 329 and 467 nm in the solid at room temperature. Abstract An organic–inorganic hybrid crystal, [Bz-4-NH 2 Py] 2 [CdBr 4 ](1) (Bz-4-NH 2 Py = 1-benzyl-4′-aminopyridinium), was grown successfully by slow evaporation solution growth method at room temperature and characterized. In tetrachlorocadmate(II) dianion, the CdII ion is coordinated by four Br atoms in a close to tetrahedral geometry. The crystal packing is stabilized by C H⋯Br hydrogen bonds between [Bz-4-NH 2 Py]+ cations and [CdBr 4 ]2− anion forming a three-dimensional network. Powder XRD diffraction study confirms the crystalline nature of the title compound. Thermal stability and the gaseous products of decomposition at 362 °C were examined by TG-DTA-MS technique. The Fourier transform infrared (FT-IR) and Raman spectra were recorded and analyzed with the aid of DFT calculations in order to make a suitable assignment of the observed bands. UV–Vis spectral analysis was used to determine the band gap energy, and the nonlinear optical (NLO) effect of the compound was predicted using DFT. Further, the title compound exhibits strong fluorescence emission at 394, 329 and 467 nm in the solid at room temperature. [ABSTRACT FROM AUTHOR]

A new organic hybrid material, 2,4-dichlorobenzyl triphenylphosphinium picrate, [2Cl4ClBzTPP][PIC](1), has been grown by slow evaporation solution growth technique, and characterized by elemental analysis, spectroscopy, thermal analysis, powder and single crystal XRD. The composite belongs to monoclinic system with space group P 2(1)/ c , and consists of a pair of [2Cl4ClBzTPP]+ cations and picrate anions. The experimental vibrational bands (IR and Raman) have been discussed and assigned based on DFT calculations. The HOMO-LUMO energy gap explains the charge transfer interactions in the molecule. TG-TDA technique reveals that the title crystal was stable up to 168 °C. The fluorescence spectra reveal that the compound shows violet and green fluorescence emissions at 377 and 509 nm upon excitation at 250 nm in solid state at room temperature. The energy of weak interactions in the molecule and nonlinear optical properties were studied using DFT calculations. Image 1 • A organic crystal of substituted benzyl triphenylphosphinium picrate salt was synthesized and characterized. • The experimental vibrational bands (IR and Raman) have been discussed and assigned based on DFT calculations. • The HOMO-LUMO energy gap explains the charge transfer interactions in the molecule. • The energy of weak interactions in the molecule and nonlinear optical properties were studies using DFT calculations. • The title crystal show violet and green fluorescence emissions at 377 and 509 nm in solid state at room temperature. [ABSTRACT FROM AUTHOR]

Two kinds of three-dimensional (3D) coordination frameworks from monometallic to heterometallic, including a charming 3D monometallic complex, namely, [Eu2(mpda)3(H2O)4]n (1) and the first series of novel 3D heterometallic 4d-4f coordination frameworks based on 2,6-dimethylpyridine-3,5-dicarboxylic acid, namely, [Ln2Cd2(mpda)2(bdc)2(SO4)2(H2O)6]n [Ln=Sm(2), Eu(3), Gd(4), Tb(5), Dy(6); mpda=2,6-dimethylpyridine-3,5-dicarboxylic acid; bdc=1,4-benzenedicarboxylic acid] have been successfully synthesized under hydrothermal conditions and structurally characterized. Crystal 1 is featured by its interesting 3D chain-layer construction which is formed by the alternative arrangement of chains and layers and exhibits 2-nodal 5, 6-connected 3D network with the Schlafli symbol of {33.43.55.64}{36.46.53}. Complexes 2-6 are isostructural and it reveals that these 3D heterometallic compounds are firstly built by H2mpda ligand. What is worth mentioning is that anionic ligand SO42− plays a crucial function in the construction building. The two-dimensional (2D) lanthanide-transition heterometallic bilayers [Ln2Cd2(mpda)2(bdc)2]n are pillared by SO42− subunits forming mixed-ligand complexes with a pillared-layer 3D structure. Complexes 2-6 feature 4-nodal 3, 4, 5, 6-connected 3D frameworks with {4.82}{4.84.10}{42.810.102.12}{42.88} topology. All the complexes are characterized by elemental analyses, FT-IR spectroscopy, Powder X-ray diffraction (PXRD) and thermogravimetric analyses (TGA). Furthermore, the luminescence properties of compounds 1, 3, and 5 and the magnetic properties of complexes 4 and 6 were also investigated in detail. [ABSTRACT FROM AUTHOR]

Abstract: The first example of 3D heterometallic 4d–4f 2,7-naphthanlenedisulfonate compounds [LnAg2(2,7-NDS)(IN)3] (Ln=Sm (1), Eu (2), Gd (3), Tb (4), Dy(5); 2,7-NDS=2,7-naphthanlenedisulfonate; IN=isonicotinic acid) has been synthesized via hydrothermal reaction and characterized by single crystal X-ray diffraction, elemental analyses, FT-IR spectroscopy, powder X-ray diffraction(PXRD) and thermogravimetric analyses (TGA). X-Ray structural analysis reveals that compounds 1–5 exhibit same well-organized 3D coordination frameworks that are built up by 2D elliptical cylinder shaped [LnAg2(2,7-NDS)(IN)3] layers which are constructed by 1D anionic chains [Ln(2,7-NDS)(IN)3]2− linking the adjacent Ag(I) ions, and [LnAg(μ2-O)2] units, possessing a 7-connected topology with the Schläfli symbol of {33;411;56;6}. Furthermore, the luminescence properties of compounds 2 and 4 and the magnetic properties of compounds 3 and 5 were investigated. [Copyright &y& Elsevier]