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C24H18N6O7Na2, monoclinic, I2/a (no. 15), a = 9.9773(6) Å, b = 18.2319(14) Å, c = 14.2858(9) Å, β = 108.686(7)°, V = 2461.7(3) Å3, Z = 4, Rgt(F) = 0.0337, wRref(F2) = 0.0939, T = 200 K.

C12H14N4O4, triclinic, P1‾$P\overline{1}$ (no. 2), a = 6.79127(19) Å, b = 10.0328(3) Å, c = 10.0542(2) Å, α = 90.027(2)°, β = 97.124(2)°, γ = 101.983(3)°, V = 664.71(3) Å3, Z = 2, Rgt(F) = 0.0539, wRref(F2) = 0.1580, T = 292 K.

C12H15NO9Cu, triclinic, P1̄ (no. 2), a = 7.3596(3) Å, b = 8.1735(2) Å, c = 12.0982(4) Å, α = 85.754(3)°, β = 80.318(3)°, γ = 84.852(2)°, V = 702.61(5) Å3, Z = 2, R gt(F) = 0.0494, wR ref(F 2) = 0.1463, T = 298 K.

C36H42N4O10Mg, monoclinic, C2/c (no. 15), a = 16.4977(12) Å, b = 16.3866(10) Å, c = 12.5814(10) Å, β = 101.922(8)°, V = 3327.9(4) Å3, Z = 4, Rgt (F) = 0.0794, wRref (F 2) = 0.2021, T = 260 K.

C48H56N8O22Cu2, triclinic, P1̄ (no. 2), a = 9.57725(18) Å, b = 11.06643(19) Å, c = 13.7592(2) Å, α = 110.3563(16)°, β = 98.9048(16)°, γ = 102.5302(15)°, V = 1291.71(4) Å3, Z = 1, R gt(F) = 0.0410, wR ref(F 2) = 0.1200, T = 165 K.

C48H108N9O18La, monoclinic, P21/n (no. 14), a = 16.5000(10) Å, b = 22.5924(14) Å, c = 17.4287(10) Å, β = 90.875(5)°, V = 6496.2(7) Å3, Z = 4, Rgt(F) = 0.0716, wRref(F2) = 0.1706, T = 100 K.

C6H6N2O2, monoclinic, P21/n (no. 14), a = 3.6915(7) Å, b = 19.265(5) Å, c = 8.1468(16) Å, β = 92.47(2)°, V = 578.8(2) Å3, Z = 4, Rgt(F) = 0.0468, wRref(F2) = 0.1254, T = 150 K.

C14H26N2O14Mg, triclinic, P1‾$\overline{1}$ (no. 2), a = 7.0646(2) Å, b = 8.5008(2) Å, c = 17.2402(2) Å, α = 86.230(2)°, β = 81.415(2)°, γ = 82.768(2)°, V = 1014.45(4) Å3, Z = 2, Rgt(F) = 0.0340, wRref(F2) = 0.0904, T = 216(40) K.

C42H54O18S6Zn3, trigonal, P3‾1m $P\overline{3}1m$ (no. 162), a = 9.2916(13) Å, c = 18.121(4) Å, V = 1354.9(5) Å3, Z = 0.99996, R gt(F) = 0.0490, wR ref(F 2) = 0.1330, T = 293(2) K.

C12H15NO9Ni, triclinic, P1‾$P\overline{1}$ (no. 2), a = 7.3184(3) Å, b = 8.1941(3) Å, c = 12.1015(5) Å, α = 85.603(3)°, β = 79.719(3)°, γ = 84.790(3)°, V = 709.74(5) Å3, Z = 2, Rgt(F) = 0.0437, wRref(F2) = 0.1243, T = 290.1(3) K.

C12H15NO9Cd, triclinic, P1‾$P\overline{1}$ (no. 2), a = 7.5263(5) Å, b = 8.0953(3) Å, c = 12.4005(8) Å, α = 86.814(4)°, β = 79.845(5)°, γ = 86.140(4)°, V = 741.28(7) Å3, Z = 2, Rgt(F) = 0.0759, wRref(F2) = 0.2248, T = 295 K.

C35H35NO14La, triclinic, P‾$\overline{P}$1 (no. 2), a = 9.06760(10) Å, b = 13.6139(2) Å, c = 15.5964(2) Å, α = 115.2310(10)∘, ß = 97.4010(10)∘, γ = 95.4830(10)∘, V = 1702.65(4) Å3, Z = 2, Rgt(F) = 0.0431, wRref(F2) = 0.1059, T = 296.13(10) K.

C22H23N3O9Cu, triclinic, P1‾$P\overline{1}$ (no. 2), a = 9.0356(2) Å, b = 9.6247(3) Å, c = 14.2969(3) Å, α = 86.989(2)°, β = 86.414(2)°, γ = 66.913(2)°, V = 1140.98(5) Å3, Z = 2, Rgt(F) = 0.0405, wRref(F2) = 0.1172, T = 297.88(10) K.

A new Gd(III) coordination polymer, {[Gd(L1)3(H2O)2]∙L2}n (1) (HL1 = 6-phenylpyridine-2-carboxylic acid, L2 = 4,4’-bipyridine) was synthesized using 6-phenylpyridine-2-carboxylic acid, 4,4’-bipyridine, NaOH and GdCl3∙6H2O. The structure of Gd(III) coordination polymer has been characterized by IR and X-ray single crystal diffraction. The result of single crystal analysis indicates that fundamental unit of Gd(III) coordination polymer contains one Gd(III) ion, three L1 ligands, two coordinated water molecules and one uncoordinated 4,4’-bipyridine. In 1, the Gd(III) ion is eight-coordinated and surrounded by six O atoms from three L1 ligands and two O atoms from two coordinated water molecules, respectively. The complex 1 exhibits 1D chained structure by the bridging interactions of two carboxyl-oxygen atoms and O−H∙∙∙N hydrogen bonds interactions. The 1D chains are further connected by - stacking interactions to form 3D network architecture. The photocatalytic CO2 reduction activity of complex 1 has also been investigated. The complex 1 exhibits good CO2 reduction activity. With the increase of time, the yield of CO from 18.2 mmol/g in the first hour to 60.3 mmol/g in the third hour. And the CO selectivity has reached 100%. Copyright © 2023 by Authors, Published by BCREC Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0).

A new binuclear Gd(III) complex, [Gd2(L)6(Phen)2]·4H2O, was synthesized via the reaction of gadolinium(III) nitrate hexahydrate, 4-acetylphenoxyacetic acid (HL), NaOH, and 1,10-phenanthroline (Phen) in a solution of water–ethanol (v:v = 1:1). The Gd(III) complex was characterized using IR, UV–vis, TG-DSC, fluorescence, and single-crystal X-ray diffraction analyses. The results showed that the Gd(III) complex crystallizes in the triclinic system, space group P-1, and each Gd(III) ion was coordinated with two nitrogen atoms (N1, N2, or N1a, and N2a) from two Phen ligands and seven oxygen atoms (O1, O2, O7a, O9, O8, O8a, O10a, or O1a, O2a, O7, O8, O8a, O9a, and O10) from six L ligands, respectively, forming a nine-coordinated coordination mode. The Gd(III) complex molecules formed a one-dimensional chained and three-dimensional network structure via benzenering π-π stacking. The Hirschfeld surface analysis and the calculations of the electron density distributions of the frontier molecular orbitals of the Gd(III) complex were performed. The catalytic activities of the photocatalytic CO2 reduction and benzyl alcohol oxidation using the Gd(III) complex as a catalyst were performed. The results of the photocatalytic CO2 reduction showed that the yield and the selectivity of CO reached 41.5 μmol/g and more than 99% after four hours, respectively. The results of the benzyl alcohol oxidation showed that the yield of benzaldehyde was 45.7% at 120 °C with THF as the solvent under 0.5 MPa O2 within 2 h.

A new nine-coordinated Yb(III) complex [YbL3(Phen)] (1) (HL = 2-(4-acetylphenoxy)acetic acid (APA), Phen = 1,10-phenanthroline) was synthesized with 2-(4-acetylphenoxy)acetic acid, YbCl3.6H2O, NaOH and 1,10-phenanthroline as materials. Complex (1) was characterized by IR and X-ray single-crystal diffraction analysis. The results show that the Yb(III) ion is nine-coordinated with seven carboxylate oxygen atoms from five different deprotonated APA ligands and two nitrogen atoms from one Phen ligand. Complex (1) forms a 3D supramolecular framework through the - stacking interactions between the Phen aromatic rings. The hirschfeld surface analysis of complex (1) was also calculated. The CO2 photoconversion activity of complex (1) has been performed under UV-vis light irradiation. The complex (1) shows good photocatalytic activity with the yield of CO is closed to 146 mmol/g after three hours of UV-vis light irradiation, the CO selectivity has reached to 97.9%. Copyright © 2023 by Authors, Published by BCREC Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0).

C22H18N4O6Mg, orthorhombic, Pbca (no. 61), a = 15.3055(2) Å, b = 15.1214(2) Å, c = 18.1048(2) Å, V = 4190.19(9) Å3, Z = 8, Rgt(F) = 0.0376, wRref(F2) = 0.1069, T = 296 K.

A new Cu(II) complex, [CuL1L2(CH3COO)2(H2O)]·H2O, was synthesized by the reaction of Cu(CH3COO)2·H2O, 6-phenylpyridine-2-carboxylic acid (HL1), and 4-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]pyridine (L2) in ethanol-water (v:v = 1:1) solution. The Cu(II) complex was characterized using elemental analysis, IR, UV-vis, TG–DTA, and single-crystal X-ray analysis. The fluorescence properties of the copper complex were also evaluated. The structural analysis results show that the Cu(II) complex crystallizes in the triclinic system with space group P-1. The Cu(II) ion in the complex is five-coordinated with one O atom (O2) and one N atom (N1) from one 6-phenylpyridine-2-carboxylate ligand (L1), one N atom (N2) from 4-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]pyridine ligand (L2), one O atom (O4) from acetate, and one O atom (O5) from a coordinated water molecule, and it adopts a distorted trigonal bipyramidal geometry. Cu(II) complex molecules form a two-dimensional layer structure through intramolecular and intermolecular O-H…O hydrogen bonding. The two-dimensional layer structures further form a three-dimensional network structure by π-π stacking interactions of aromatic rings. The analysis of the Hirschfeld surface of the Cu(II) complex shows that the H…H contacts made the most significant contribution (46.6%) to the Hirschfeld surface, followed by O…H/H…O, N…H/H…N and C…H/H…C contacts with contributions of 14.2%, 13.8%, and 10.2%, respectively. In addition, the photocatalytic CO2 reduction using Cu(II) complex as a catalyst is investigated under UV-vis light irradiation. The findings reveal that the main product is CO, with a yield of 10.34 μmol/g and a selectivity of 89.4% after three hours.

C23H17N3O5Cu, monoclinic, P21/n (no. 14), a = 11.49510(10) Å, b = 8.69660(10) Å, c = 21.1454(2) Å, β = 105.433(1)°, V = 2037.65(4) Å3, Z = 4, R gt(F) = 0.0298, wR ref(F 2) = 0.0862, T = 294 K.

C34H24N4O4 ${\mathrm{C}}_{34}{\mathrm{H}}_{24}{\mathrm{N}}_{4}{\mathrm{O}}_{4}$ Cd, monoclinic, C2/c (no. 15), a = 17.5723(7) Å, b = 11.3574(4) Å, c = 15.8345(7) Å, β = 112.345(5)° $112.345(5){}^{\circ}$ , V = 2922.9(2) Å3 ${\mathrm{\mathring{\text{A}}}}^{3}$ , Z = 4, Rgt ${R}_{gt}$ (F) = 0.0265, wRref $w{R}_{ref}$ (F2 ${F}^{2}$ ) = 0.0613, T = 200 K.

A new binuclear Zn(II) complex, [Zn2L2(BIPY)2(H2O)2](1) (H2L = homophthalic acid, BIPY = 2,2'-bipyridine) has been synthesized by one-pot method of homophthalic acid, 2,2'-bipyridine, zinc acetate dihydrate, and NaOH in water/ethanol (v:v = 1:1) solution. The structure of complex (1) was characterized by IR and X-ray single-crystal diffraction analysis. The results show that each Zn(II) ion is five-coordinated with two carboxylic O atoms from two homophthalate ligands (O2, O3 or O2a, O3a), two N atoms from two 2,2'-bipyridine ligands (N1, N2 or N1a, N2a) and one O atom from coordinated water molecule (O5 or O5a), and forms a distorted trigonal bipyramid coordination geometry. Complex (1) forms 1D chained structure and 3D network structure by the p-p interaction of 2,2'-bipyridine ligands. The Hirschfeld surface analysis of complex (1) was calculated. The catalytic performance of complex (1) has also been investigated for the oxidation of benzyl alcohol under O2 atmosphere. The optimal reaction temperature and pressure were 100 °C and 0.3 MPa for complex (1). Copyright © 2022 by Authors, Published by BCREC Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0).

C48H32N4O8Pb2, triclinic, P1‾ $P\overline{1}$ (no. 2), a = 9.2712(8) Å, b = 14.5959(13) Å, c = 16.6178(13) Å, α = 76.089(7)°, β = 77.068(7)°, γ = 74.717(7)°, V = 2074.5(3) Å3, Z = 2, R gt(F) = 0.0563, wR ref(F 2) = 0.1783, T = 250 K.

In ethanol-water (v:v = 1:1), a new Ni(II) complex, [Ni(L)2(H2O)2] (1) (HL = 6-phenylpyridine-2-carboxylic acid) was synthesized using 6-phenylpyridine-2-carboxylic acid, NaOH and Ni(CH3COO)2.4H2O. The structure of complex 1 has been determined by elemental analysis and single crystal X-ray diffraction. The single crystal analysis shows that complex 1 contains one Ni(II) ion, two L ligands and two coordinated water molecules. In 1, the Ni(II) ion is six-coordinated to two O atoms and two N atoms from L ligands and two O atoms from coordinated water molecules, respectively, which form a distorted octahedral coordination geometry. The whole unit of complex 1 is interconnected to each other through intermolecular N−H•••O hydrogen bonds involving oxygen atom of coordinated water molecule and the oxygen atoms of L ligand to form 1D molecular architecture. The catalytic activity of complex 1 for oxidation of benzyl alcohol with O2 was investigated. The complex 1 shows good catalytic performance for the oxidation of benzyl alcohol, the benzyl alcohol conversion, benzaldehyde selectivity, and benzaldehyde yield were 49.1%, 92.0%, and 45.2%, respectively, at 90 °C under 0.7 Mpa O2 for 2 h. Moreover, complex 1 could be recovered easily by centrifugation and used repetitively for at least four times. Copyright © 2022 by Authors, Published by BCREC Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0).

A new dinuclear Gd(III) complex was synthesized and named [Gd2(L)4(Phen)2(H2O)2(DMF)2]·2H2O·2Cl (1). Here, L is the 6-phenylpyridine-2-carboxylate anion, Phen represents 1,10-phenanthroline, DMF is called N,N-dimethylformamide, and Cl− is the chloride anion, which is characterized by IR and single crystal X-ray diffraction analysis. The structural analysis reveals that complex (1) is a cation–anion complex, and each Gd(III) ion is eight-coordinated with four O atoms (O1, O5, O2a, O4a, or O1a, O2, O4, O5a) of four different bidentate L ligands, two O atoms (O6, or O6a) of DMF molecules, two N atoms (N1, N2, or N1a, N2a) of Phen ligands, and two O atoms (O3 or O3a) of coordinated water molecules. Complex (1) forms the three-dimensional π–π stacking network structure with cavities occupied by chloride anions and uncoordinated water molecules. The Hirschfeld surface of the complex (1) shows that the H···H contacts represented the largest contribution (48.5%) to the Hirschfeld surface, followed by C···H/H···C and O···H/H···O contacts with contributions of 27.2% and 6.0%, respectively. To understand the electronic structure of the complex (1), the DFT calculations have been performed. The photocatalytic CO2 reduction activity shows complex (1) has excellent catalytic activity with yields of 22.1 μmol/g (CO) and 6.0 μmol/g (CH4) after three hours. And the selectivity of CO can achieve 78.5%.

A new six coordinated tetra-nuclear macrocyclic Zn(II) complex, ZnL4(Phen)2 (1) (HL= 3-bromo-2-hydroxybenzaldehyde-pyridine-2-carbohydrazone, Phen = 1,10-phenanthroline) has been synthesized by the self-assembly of 3-bromo-2-hydroxybenzaldehyde-pyridine-2-carbohydrazone, Zn(CH3COO)2•2H2O, NaOH and 1,10-phenanthroline in water/ethanol (v:v = 1:3) solution. Complex 1 was characterized by elemental analysis, infra red (IR), and single-crystal X-ray diffraction (XRD) analysis. The results show that Zn1 and Zn1b ions are six-coordinated with a distorted octahedral geometric configuration by four O atoms of two different L ligands and two N atoms of two different L ligands, Zn1a and Zn1c ions are also six-coordinated with a distorted octahedral geometric configuration by two N atoms of two different L ligands, two N atoms of Phen ligands and two O atoms of two different L ligands. Complex (1) forms 3D network structure by the - interaction. The selective oxidation reactions of benzyl alcohols catalyzed by complex (1) was investigated. The highest benzyl alcohol conversion and benzaldehyde selectivity were obtained at 100 °C for 4 h under 5 bar of O2. Copyright © 2021 by Authors, Published by BCREC Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0).

C36H24N4O4Cu, monoclinic, I12/a1 (no. 15), a = 16.5119(17) Å, b = 11.0747(7) Å, c = 17.6272(17) Å, β = 117.916(13)°, V = 2848.3(5) Å3, Z = 4, R gt(F) = 0.0335, wR ref(F 2) = 0.0759, T = 200 K.

C36H26N4O5Mn, orthorhombic, P212121 (no. 19), a = 10.7134(7) Å, b = 10.7573(10) Å, c = 26.6304(18) Å, β = 90°, V = 3069.1(4) Å3, Z = 4, Rgt(F) = 0.0454, wRref(F2) = 0.0890, T = 220 K.

C27H23N5O5Co, triclinic, P1‾ $P\overline{1}$ (no. 2), a = 8.6503(7) Å, b = 11.1188(8) Å, c = 13.2711(11) Å, α = 79.185(7)°, β = 71.970(7)°, γ = 87.951(6)°, V = 1191.85(17) Å3, Z = 2, R gt(F) = 0.0450, wR ref(F 2) = 0.1143, T = 200 K.

C34H24N4O4Cu, monoclinic, C2/c (no. 15), a = 17.2931(15) Å, b = 10.3584(5) Å, c = 17.5641(16) Å, β = 120.180(12)°, V = 2719.8(5) Å3, Z = 4, R gt(F) = 0.0282, wR ref(F 2) = 0.0681, T = 199.99(10) K.

A new six-coordinated Mn(II) coordination polymer, [Mn(L1)(L2)2]n (L1 = 2-aminopyrimidine, HL2 = 3-bromo-2-hydroxybenzaldehyde) was synthesized by 3-bromo-2-hydroxybenzaldehyde, NaOH, 2-aminopyrimidine and manganese(II) acetate dihydrate. The Mn(II) coordination polymer was structural characterized by elemental analysis and single crystal X-ray diffraction. The results show that each Mn(II) ion is six-coordinated with two phenolic hydroxyl O atoms from two 3-bromo-2-hydroxybenzaldehyde ligands (O1 and O4), two formyl group O atoms from two 3-bromo-2-hydroxybenzaldehyde ligands (O2 and O3), and two N atoms from two 2-aminopyrimidine molecules (N1A and N2), and forms a distorted octahedral coordination geometry. The Mn(II) coordination polymer displays a 1D chained structure by the bridge effect of 2-aminopyrimidine N atoms. The catalytic activities of Mn(II) coordination polymer and Pd@Mn(II) coordination polymer for hydrogenation of 1,3-butadiene have been investigated. The Pd@Mn(II) coordination polymer catalyst shows the good catalytic activity and selectivity in the hydrogenation of 1,3-butadiene. The 1,3-butadiene conversion is 61.3% at 70 °C, and the selectivity to total butene is close to 100%. Copyright © 2021 by Authors, Published by BCREC Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0).

C20H22N2O4, monoclinic, P21/c (no. 14), a = 18.1092(12) Å, b = 8.4026(6) Å, c = 11.6983(8) Å, β = 92.582(7)°, V = 1778.3(2) Å3, Z = 4, Rgt(F) = 0.0456, wRref(F2) = 0.1137, T = 200.00(10) K.

C24H16N2O4Cu, triclinic, P1‾ $P‾{1}$ (no. 2), a = 11.2454(6) Å, b = 13.5960(7) Å, c = 14.0076(8) Å, V = 1958.9(2) Å3, α = 79.019(5)°, β = 71.729(5)°, γ = 76.126(5)°, Z = 4, R gt(F) = 0.0438, wR ref(F 2) = 0.1030, T = 150 K.

A new Cu(II) complex, [CuL2(H2O)2]·H2O (HL = N-nicotinoylglycine), has been obtained using N-nicotinoylglycine, copper(II) acetate monohydrate and NaOH as raw materials. The structure of the Cu(II) complex was characterized by elemental analysis and single crystal X-ray diffraction analysis. The Cu(II) ion is six-coordinated with two N atoms from two pyridine groups of L ligand and four O atoms of four coordinated H2O molecules. The Cu(II) complex forms a 2D layered structure and 3D network structure by the interaction of O-H···O hydrogen bonds. The catalytic activities of the Cu(II) complex catalyst for benzyl alcohol oxidation were determined with molecular oxygen as oxidant.

C24H23N2NaO4, monoclinic, P21/c (no. 14), a = 7.5246(5) Å, b = 22.554(2) Å, c = 11.3358(9) Å, β = 91.881(7)°,V = 1922.8(3) Å3, Z = 4, Rgt(F) = 0.0496, wRref(F2) = 0.1184, T = 100K.

C40H32Cl2N4O7Zn, monoclinic, P21/c (no. 14), a = 13.5114(8) Å, b = 16.5735(7) Å, c = 17.0403(9) Å, β = 107.528(6)°, V = 3638.7(3) Å3, Z = 4, Rgt(F) = 0.0398, wRref(F2) = 0.0831, T = 100 K.

C48H108N9O18La, monoclinic, P21/n (no. 14), a = 16.5000(10) Å, b = 22.5924(14) Å, c = 17.4287(10) Å, β = 90.875(5)°, V = 6496.2(7) Å3, Z = 4, Rgt(F) = 0.0716, wRref(F2) = 0.1706, T = 100 K. [ABSTRACT FROM AUTHOR]

A new calcium(II) complex was synthesized by one-pot synthesis method from disodium 4-formylbenzene-1,3-disulfonate, isonicotinic acid hydrazide and Ca(ClO4)2•2H2O. The structure of calcium(II) complex was determined by elemental analysis, IR and single crystal X-ray diffraction. The results show that the Ca(II) complex molecules form 3D network structure by the interactions of π-π stacking and hydrogen bonds. The Ca(II) complex catalyst could efficiently catalyse oxidation of benzylic alcohol with good conversion of benzyl alcohol (78 %) and excellent selectivity of benzaldehyde (98 %).

C12H15NO9Cu, triclinic, P1̄ (no. 2), a = 7.3596(3) Å, b = 8.1735(2) Å, c = 12.0982(4) Å, α = 85.754(3)°, β = 80.318(3)°, γ = 84.852(2)°, V = 702.61(5) Å3, Z = 2, Rgt(F) = 0.0494, wRref(F2) = 0.1463, T = 298 K. [ABSTRACT FROM AUTHOR]

C36H42N4O10Mg, monoclinic, C2/c (no. 15), a = 16.4977(12) Å, b = 16.3866(10) Å, c = 12.5814(10) Å, β = 101.922(8)°, V = 3327.9(4) Å3, Z = 4, Rgt(F) = 0.0794, wRref(F2) = 0.2021, T = 260 K. [ABSTRACT FROM AUTHOR]

C48H56N8O22Cu2, triclinic, P1̄ (no. 2), a = 9.57725(18) Å, b = 11.06643(19) Å, c = 13.7592(2) Å, α = 110.3563(16)°, β = 98.9048(16)°, γ = 102.5302(15)°, V = 1291.71(4) Å3, Z = 1, Rgt(F) = 0.0410, wRref(F2) = 0.1200, T = 165 K. [ABSTRACT FROM AUTHOR]

A Cu(II) complex, [CuL2(Phen)] (1) (HL = 2-benzoylbenzoic acid, Phen = 1,10-phenanthroline), has been synthesized and structurally characterized by elemental analysis and single-crystal X-ray diffraction. Structural analysis indicated that the Cu(II) complex (1) belongs to the monoclinic system with P21/c space group, and a = 18.955(4) Å, b = 8.3618(17) Å, c = 27.890(8) Å, β = 131.635(18)°, V = 3303.8(15) Å3, Dc = 1.396 g·cm-3, the final R = 0.0505, wR2 = 0.1154 with I≥2σ (I). In Cu(II) complex, both the COO- group of L ligand and Phen ligand adopt bidentate coordination mode. The Cu(II) center is six-coordinated by two N atoms of one Phen ligand and four O atoms of two different L ligands, forming a distorted octahedral coordination environment. The Cu(II) complex (1) molecules forms a 1D chain structure by π-π stacking effect of neighboring benzene rings, and the 1D chains further form a 3D network structure. The catalytic activity of [CuL2(Phen)] (1) for the oxidation of benzyl alcohol has been tested with O2 as the oxidant.

Metal-organic complex hybrid materials constructed from carboxylate ligands and hydrazone ligands have exhibited potential application in many fields. In order to enrich the applications of the metai-organic complex materials, a new hydrazone ligand contains carboxylate group, 2-carboxybenzaldehyde-p-toluenesulfonyl hydrazone (L1), and its Cu(II) complex (C2), have been prepared. The structure of L1 was determined by elemental analysis, IR spectra and single crystal X-ray diffraction, and the composition of Cu(II) complex (C2) has also been determined by elemental analysis, IR and UV spectra. The catalytic activity for A3 coupling reaction of benzaldehyde, piperidine, and phenylacetylene has been investigated. The results show that Cu(II) complex displays a 100 % selectivity to the product of propargylamine during A3 coupling reaction and benzaldehyde conversions were 95.3, 94.2, and 93.4 % at 120 °C for 12 h in the first, second, and third reaction cycles, respectively.

The study on catalytic activity of complex materials has been one of the hot spots in coordination chemistry. In order to extensively study the catalytic activity of complexes, a new six-coordination Zn(II) complex material, [ZnL2(H2O)2] (C1) (HL = 5-bromosalicylaldehyde), has been prepared with 5-bromosalicylaldehyde, NaOH, and Zn(CH3COO)2·2H2O as raw materials. The structure of C1 was determined by elemental analysis, IR spectra, and single crystal X-ray diffraction. The Zn(II) complex shows a moderate catalytic activity for A3 coupling reaction of benzaldehyde, piperidine, and phenylacetylene with the benzaldehyde conversion reached 54.6 %. Furthermore, the Zn(II) complex catalyst exhibited 54.8 %, 53.8 %, and 54.4 % conversions of benzaldehyde in the second, third, and fourth cycles, respectively. In addition, the Zn(II) complex features a selectivity of 100 % to the product of propargylamine for the A3 coupling reaction.

C16H22O6N4Mn, triclinic, P1‾$P‾{1}$ (no. 2), a = 7.4412(6) Å, b = 8.2273(7) Å, c = 8.6693(7) Å, α = 72.516(7)°, β = 76.827(7)°, γ = 63.444(9)°, V = 450.08(7) Å3, Z = 1, Rgt(F) = 0.0378, wRref(F2) = 0.0755, T = 150(1) K.

C15H17N3O6, triclinic, P1‾$P‾{1}$ (no. 2), a = 7.2155(8) Å, b = 10.7519(8) Å, c = 10.8562(8) Å, α = 107.910(7), β = 97.087(8), γ = 100.409(7) V = 773.69(12) Å3, Z = 2, Rgt(F) = 0.0500, wRref(F2) = 0.1238, T = 150(1) K.