Shuxin Cui

Two unique 8-quinolinato (q) based one dimensional complexes [FeIIMnII(q)4·(H2O)0.25]n and [MnII(q)2]n: synthesis, structures, and magnetism

Herein, we report the first incorporation of 8-hydroxyquinoline ions into hetero- and homometallic one dimensional complexes [FeIIMnII(8-quinolinato)4·(H2O)0.25]n (1) and [MnII(8-quinolinato)2]n (2). Magnetic analyses of both complexes indicate antiferromagnetic interactions between the magnetic centers.

Synthesis, Crystal Structure and Antitumor Activities of a New Cobalt-containing Tungstoantimonate Na9[{Na(H2O)2}3{Co(H2O)}3 (α-B-SbW9O33)2]·28H2O

A new cobalt-containing tungstoantimonate Na9[{Na(H2O)2}3{Co(H2O)}3(α-B-SbW9O33)2] · 28H2O 1 has been synthesized and characterized by elemental analysis, Infrared spectrum, UV-visible spectra, thermal gravimetric analysis and single-crystal X-ray analysis. Compound 1 crystallizes in monoclinic crystal system, space group C2/c with a = 14.125(2), b = 23.086(4), c = 32.285(5), β = 99.067(2)°. Polyanion 1 presents a Keggin-type sandwich structure. In polyanion 1, three cobalt and three sodium ions are encapsulated between two [α–B–SbW9O33]9− forming a sandwich-type polyanion with idealized D 3h symmetry. Importantly, the result of antitumor activities in vitro shows that compound 1 has exhibited significant inhibitory actions on the human tumor cell lines, ovarian cancer cells (SK-OV-3) and liver cancer cells (SMMC-7721 and HepG2). Furthermore, the inhibitory effect on HepG2 tumor cell lines is especially outstanding.

Poly[penta-kis-(μ-cyanido-κN:C)tris-(5-phenyl-2,2'-bipyridine-κN,N')penta-copper(I)].

The hydrothermal reaction of Cu(acetate)2 and K3[Fe(CN)6] with 5-phenyl-2,2′-bipyridine (5-ph-2,2′-bpy) in water yields the polymeric title complex, [Cu5(CN)5(C16H12N2)3]n, which consists of ribbons along the a axis, constructed from 26-membered {Cu10(CN)8} rings. In these rings, the metal atoms are bridged by cyanide groups, except for one close Cu⋯Cu contact [2.7535 (12) Å], which can be considered as ligand-unsupported. Within the rings, one Cu atom has a distorted tetrahedral geometry through the coordination to two N atoms from 5-ph-2,2′-bpy and two N/C atoms from two cyanide groups. Two Cu atoms have a trigonal planar environment being coordinated by three cyanide groups and two other Cu atoms have a distorted square planar geometry through coordination to two N atoms from 5-ph-2,2′-bpy and two N/C atoms from two cyanide groups.

Encapsulated different forms of water molecules by Cu(II) complexes with diverse structures

Three new supramolecular copper complexes have been prepared possessing different frameworks to host different forms of water. The 1D chain complex {[Cu(terpyOH)(phth)]·H2O}n (1), the binuclear complex [Cu2(terpyO)2(phth)(H2O)2]·11H2O (2), the mononuclear complex [Cu(terpyOH)(SO4)(H2O)]·2H2O (3) (terpyOH = 4′-hydroxy-2,2′:6′,2′′-terpyridine and phth = phthalate) were obtained by changing pH values (1, 2) and in situ reaction (3). Their structures were characterized by single crystal X-ray diffraction analysis. In complex 1, the CuII ions are bridged by phthalate dianions to form infinite Z-shaped chains with terpyOH pendants and discrete water molecules. Coexistence of (H2O)16 and (H2O)10 water clusters in the complex 2 forms a novel 2D water sheet. A near-planar S-shaped water chain assembled by hydrogen bonds is formed for 3. The 4′-bromo-2,2′:6′,2′′-terpyridine was converted into terpyOH in situ under hydrothermal conditions for complex 3.

catena-Poly[[(5-phenyl-2,2′-bipyridine-κ2N,N′)copper(I)]-μ-thio­cyanido-κ2N:S]

The title compound, [Cu(NCS)(C16H12N2)]n, was synthesised under hydrothermal conditions. The CuI ion shows distorted tetrahedral geometry being coordinated by two N atoms from a 5-phenyl-2,2′-bipyridine ligand and by the N and S atoms from two different thiocyanate anions. The CuI ions are bridged by thiocyanide groups, forming a one-dimensional coordination polymer along the b axis. The crystal packing is through van der Waals contacts and C—H⋯π interactions.

Theoretical studies on magnetic properties of a binuclear paddle wheel Cu(II) complex {Cu2(μ2-O2CCH3)4}(OCNH2CH3)2

The magnetic properties of a binuclear copper(II) complex {Cu2(μ2-O2CCH3)4}(OCNH2CH3)2 have been investigated on the basis of density functional theory with the broken symmetry (BS) approach. The magnetic coupling constant J values for the investigated complex have been calculated by different methods (HF, m06, PBE, B3LYP, B3PW91, B3P86, BLYP, BPW91, BP86) and basis sets (TZVP, TZV, 6-31G, 6-31++G) for the metal centers, and SVP basis set for the other atoms. The best calculated J value is‒142.6 cm−1, which is in the excellent agreement with the experimental value (J = −101 ± 2 cm−1). By investigating the spin density distribution from the magnetic centers to the atoms of ligands and the singly occupied molecular orbitals (SOMOs) of the Cu(II) ions at the low spin group states, we found that there is a spin delocalization between the Cu(II) ions and acetate ligands.