A half-salamo-based fluorescent chemosensor HL based on 3,5-dichlorosalicylaldehyde was developed Sensor HL showed a single selectivity for heavy metal Pb2+ ion by "on-turn" fluorescence in various common metal ions After forming a 2 : 1 type complex with Pb2+ ion, the minimum detection limit (LOD) of HL for Pb2+ ion was calculated as 565 × 10−8 M In addition, the complex formed by HL and Pb2+ ion was used as a new chemosensor L-Pb2+ for further recognition of cysteine (Cys), thereby releasing HL The minimum detection limit (LOD) of Cys for L-Pb2+ was calculated as 380 × 10−7 M The “on-off-on” mode of chemosensors HL and L-Pb2+ achieved by alternately adding Pb2+ and Cys has reached the recycling of chemosensors

A highly selective and sensitive half-salamo-based fluorescent chemosensor for sequential detection of Pb(II) ion and Cys

A new oxalato bridged polymeric Mn(III) coordination compound, {[Mn2(η2-C2O4)(H2O)2Cl4] 2(4-CNpy)}n (1) (C2O4 = oxalate, 4-CNpy = 4-cyanopyridine), has been synthesized and characterized using elemental analysis, and spectroscopic (IR, electronic, XPS) and single crystal X-ray diffraction techniques. Electronic and XPS analyses of the compound justify the presence of a Mn(III) center that is charge compensated by the two chlorido ligands and the oxygen atom of the bridged oxalate. 4-CNpy molecules in the lattice form unconventional H-bonded supramolecular dimers in the solid state assisted by antiparallel CN⋯CN dipole⋯dipole interactions, which has been confirmed using QTAIM and NCI plot analysis and supported by MEP surface analysis. Remarkably, this dimer concurrently establishes a weak anion–π interaction with the coordinated chlorido ligand. Unexpectedly, QTAIM analysis reveals the existence of an interesting O⋯π-hole(nitrile) contact involving the coordinated water molecule and the nitrile moiety that also contributes to the stabilization of the dimer in the crystal structure. To the best of our knowledge, the existence of such π-hole interaction involving nitrile derivatives has not been reported before. Compound 1 has been further screened for anticancer activity in the malignant Dalton's lymphoma (DL) cell line and the results were confirmed by molecular docking and pharmacophore features. Our findings indicated that the cytotoxicity of compound 1 is initially increased in a dose dependent manner (0.01–1 μM) and then decreased (5–10 μM), which is also affected by the reactive oxygen species (ROS) in the cells. Interestingly, very low cytotoxicity (5–14%) was observed in the case of healthy cells (PBMC) for similar experimental conditions.

Oxalato bridged coordination polymer of manganese(III) involving unconventional O⋯π-hole(nitrile) and antiparallel nitrile⋯nitrile contacts: antiproliferative evaluation and theoretical studies

Lanthanide complexes have attracted a widespread attention due to their structural diversity, as well as multifunctional and tunable properties. The development of lanthanide based functional materials has often relied on the design of the secondary coordination sphere of the corresponding lanthanide complexes. For instance, usually simple lanthanide salts (solvento complexes) do not catalyze effectively organic reactions or provide low yield of the expected product, whereas the presence of a suitable organic ligand with a noncovalent bond donor or acceptor centre (secondary coordination sphere) modifies the symmetry around the metal centre in lanthanide complexes which then successfully can act as catalysts in both homogenous and heterogenous catalysis. In this minireview, we discuss several relevant examples, based on X-ray crystal structure analyses, in which the hydrogen, halogen, chalcogen, pnictogen, tetrel and rare-earth bonds, as well as cation-π, anion-π, lone pair-π, π-π and pancake interactions, are used as a synthon in the decoration of the secondary coordination sphere of lanthanide complexes.

Noncovalent Interactions at Lanthanide Complexes.

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The crystal structure of [(phenantroline-κ2N,N′)-bis(6-phenylpyridine-2-carboxylate-κ2N,O)cobalt(II)]monohydrate, C36H26N4O5Co

Crystal and electronic structure of poly-halogenated lanthanide Schiff base complex: Insights into halogen bond from structural and theoretical analysis

To identify the effects of halogen bonding in the architecture of Schiff base complex supramolecular networks, we introduced halogenated Schiff-base 3-Br-5-Cl-salen as ligand and isolated a new salen-type manganese(III) complex [MnIII(Cl)(H2O)(3-Br-5-Cl-salen)] (1) where 3-Br-5-Cl-salen = N,N’-bis(3-bromo-5-chlorosalicylidene)-1,2-diamine. The complex was investigated in the solid-state for halogen bonds (XBs) by single crystal X-ray structure analysis. Meanwhile, theoretical calculations were carried out to rationalize the formation mechanism of different types of XBs in the complex. The analysis result of electronic structure of the halogen bonds indicated that the chlorine atom coordinated to the Mn(III) center possesses the most negative potential and acts as anionic XB acceptor (electron donor) to the adjacent substituted halogens on the ligand, meanwhile the intermolecular Mn-Cl···X-C halogen bonding plays a significant role in directing the packing arrangement of adjacent molecules and linking the 2D layers into a 3D network. In order to verify the above results and acquire detailed information, the title complex was further analyzed by using the Hirshfeld surface analyses.

https://www.mdpi.com/2073-4352/10/4/334/pdf

Crystal Structure and Supramolecular Architecture of Inorganic Ligand-Coordinated Salen-Type Schiff Base Complex: Insights into Halogen Bond from Theoretical Analysis and 3D Energy Framework Calculations

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Crystal structure of tris(azido-κ1N)-(N-(2-aminoethyl)-N-methyl-1,3-propanediamine-κ3N,N′,N′′)cobalt(III), C7H19CoN12

Abstract C15H14Br2N2O3, triclinic, P1‾$P‾{1}$ (no. 2), a = 7.2748(3) Å, b = 9.0786(4) Å, c = 12.8613(5) Å, α = 99.458(2)°, β = 100.401(2)°, γ = 99.499(2)°, V = 807.35(6) Å3, Z = 2, Rgt(F) = 0.0253, wRref(F2) = 0.0673, T = 150.0 K.

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Crystal structure of 4-bromo-N′-[(3-bromo-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C15H14Br2N2O3

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Tianyu Li

Papers

Crystal Structure and Supramolecular Architecture of Inorganic Ligand-Coordinated Salen-Type Schiff Base Complex: Insights into Halogen Bond from Theoretical Analysis and 3D Energy Framework Calculations

Crystal and electronic structure of poly-halogenated lanthanide Schiff base complex: Insights into halogen bond from structural and theoretical analysis

Crystal structure of tris(azido-κ1N)-(N-(2-aminoethyl)-N-methyl-1,3-propanediamine-κ3N,N′,N′′)cobalt(III), C7H19CoN12

Crystal structure of 4-bromo-N′-[(3-bromo-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C15H14Br2N2O3

Crystal structure of 6,6'‐((1E,1'E)‐(propane‐1,3‐diylbis(azaneylylidene))bis(methaneylylidene))bis(3‐bromophenol), C34H32Br4N4O4