An Uneven Chain-like Ferromagnetic Copper(II) Coordination Polymer Displaying Metamagnetic Behavior and Long-Range Magnetic Ordering

Ferromagnetic coupling exists in an uneven chain-like copper(II) complex with both end-on azido and syn-syn carboxylato bridges, (Cu3(L)2(N3)4(H2O)3)n (1, HL = 6-hydroxynicotinic acid). It is the first example of one-dimensional (1D) chain-like copper(II) coordination polymer showing both metamagnetic behavior and long-range magnetic ordering (Tc = 6.7 K), thanks to the interchain hydrogen bonds, which make a three-dimensional (3D) supramolecular array of the entire molecular structure and mediate the interchain antiferromagnetic interaction.

Synthesis, crystal structure and magnetic properties of a one-dimensional Mn2+ complex constructed from (+)-dibenzoyltartaric acid and 2,2′-bipyridine

The self-assembly reaction of (+)-dibenzoyltartaric acid (D-H2DBTA) with 2,2′-bipyridine (bpy) and Mn(CH3CO2)2·4H2O yielded a new coordination polymer, namely, catena-poly[[[diaqua(2,2′-bipyridine-κ2 N,N′)manganese(II)]-μ-2,3-bis(benzoyloxy)butanedioato-κ2 O 2:O 3] dihydrate], {[Mn(C18H12O8)(C10H8N2)(H2O)2]·2H2O} n or {[Mn(DBTA)(bpy)(H2O)2]·2H2O} n , (I). Complex (I) has been characterized by elemental analysis, IR spectroscopy, thermogravimetric analysis (TGA) and single-crystal and powder X-ray diffraction. It crystallizes in the orthorhombic space group P212121. In the complex, the Mn2+ cation displays a distorted octahedral {MnO4N2} geometry, formed from two carboxylate O atoms of two DBTA2− ligands, two cis-oriented N atoms from one chelating 2,2′-bipyridine ligand and two trans-oriented O atoms from coordinated water molecules. The polymer displays a 1D chain with an Mn...Mn distance of 9.428 (1) Å. Due to the presence of flexible polycarboxylate and rigid bipyridyl ligands in the molecular structure, a high thermal stability of the complex is attained. The magnetic properties of (I) were analyzed based on the mononuclear Mn2+ model due to the long intramolecular Mn...Mn distance. The zero field splitting (ZFS) contribution in the high-spin Mn2+ cation is almost negligible and there are weak antiferromagnetic couplings between 1D chains [zJ′ = −0.062 (5) cm−1], corresponding to an intermolecular Mn...Mn distance of 7.860 (2) Å.

Hilbert curve vs Hilbert space: exploiting fractal 2D covering to increase tensor network efficiency

We present a novel mapping for studying 2D many-body quantum systems by solving an effective, one-dimensional long-range model in place of the original two-dimensional short-range one. In particular, we address the problem of choosing an efficient mapping from the 2D lattice to a 1D chain that optimally preserves the locality of interactions within the TN structure. By using Matrix Product States (MPS) and Tree Tensor Network (TTN) algorithms, we compute the ground state of the 2D quantum Ising model in transverse field with lattice size up to 64×64, comparing the results obtained from different mappings based on two space-filling curves, the snake curve and the Hilbert curve. We show that the locality-preserving properties of the Hilbert curve leads to a clear improvement of numerical precision, especially for large sizes, and turns out to provide the best performances for the simulation of 2D lattice systems via 1D TN structures.

The Structure and Property of Two Different Metal-Organic Frameworks Based on N/O-Donor Mixed Ligands

Two different metal-organic frameworks (MOFs) [Cd2(AZN)(HAZN)(btc)(Hbtc)·4H2O]·2H2O (1), and [Zn3(AZN)2(btc)2·4H2O] (2) were synthesized by the reactions of different metal salts with mixed ligands of 1-(4-(1H-imidazol-5-yl)phenyl)-1H-1,2,4-triazole (AZN) and trimesic acid (H3btc). The different metal centers in the reaction condition have important impact on the resulting structures of MOFs 1 and 2. Compound 1 is a one-dimensional (1D) chain structure, while 2 features a three-dimensional (3D) framework with 3-fold interpenetration topology of Point (Schläfli) symbol of (6·82)4(62·82·102). Furthermore, the luminescent properties have been studied for MOFs 1 and 2.

Synthesis, Crystal Structure and Magnetic Properties of 1D Chain Complexes Based on Azo Carboxylate Oxime Ligand

Two carboxylate-bridged one-dimensional chain complexes, {[MnII(MeOH)2][FeIII(L)2]2}n (1) and {[MnII(DMF)2][MnIII(L)2]2·DMF}n (2) [H2L = ((2-carboxyphenyl)azo)-benzaldoxime], containing a low-spin [FeIII(L)2]− or [MnIII(L)2]− unit were synthesized. Magnetic measurements show that the adjacent high-spin MnII and low-spin MIII ions display weak antiferromagnetic coupling via the syn–anti carboxyl bridges, with J = −0.066(2) cm−1 for complex 1 and J = −0.274(2) cm−1 for complex 2.

A Versatile Quantum Simulator for Coupled Oscillators Using a 1D Chain of Atoms Trapped near an Optical Nanofiber

The transversely confined propagating light modes of a nanophotonic optical waveguide or nanofiber can effectively mediate infinite-range forces. We show that for a linear chain of particles trapped within the waveguide’s evanescent field, transverse illumination with a suitable set of laser frequencies should allow the implementation of a coupled-oscillator quantum simulator with time-dependent and widely controllable all-to-all interactions. Using the example of the energy spectrum of oscillators with simulated Coulomb interactions, we show that different effective coupling geometries can be emulated with high precision by proper choice of laser illumination conditions. Similarly, basic quantum gates can be selectively implemented between arbitrarily chosen pairs of oscillators in the energy as well as in the coherent-state basis. Key properties of the system dynamics and states can be monitored continuously by analysis of the out-coupled fiber fields.

Crystal Engineering of Schiff Base Zn(II) and Cd(II) Homo- and Zn(II)M(II) (M = Mn or Cd) Heterometallic Coordination Polymers and Their Ability to Accommodate Solvent Guest Molecules

Based on solvothermal synthesis, self-assembly of the heptadentate 2,6-diacetylpyridine bis(nicotinoylhydrazone) Schiff base ligand (H2L) and Zn(II) and/or Cd(II) salts has led to the formation of three homometallic [CdL]n (1), {[CdL]∙0.5dmf∙H2O}n (2) and {[ZnL]∙0.5dmf∙1.5H2O}n (3), as well as two heterometallic {[Zn0.75Cd1.25L2]∙dmf∙0.5H2O}n (4) and {[MnZnL2]∙dmf∙3H2O}n coordination polymers. Compound 1 represents a 1D chain, whereas 2–5 are isostructural and isomorphous two-dimensional structures. The entire series was characterized by IR spectroscopy, thermogravimetric analysis, single-crystal X-ray diffraction and emission measurements. 2D coordination polymers accommodate water and dmf molecules in their cage-shaped interlayer spaces, which are released when the samples are heated. Thus, three solvated crystals were degassed at two temperatures and their photoluminescent and adsorption–desorption properties were recorded in order to validate this assumption. Solvent-free samples reveal an increase in volume pore, adsorption specific surface area and photoluminescence with regard to synthesized crystals.

Interplay of Halogen and Hydrogen Bonding in a Series of Heteroleptic iron(III) Complexes

<div>The influence of the halogen substituent on crystal packing and redox properties is investigated in a series of heteroleptic complexes [Fe(qsal-X)(dipic)]MeOH (qsal-X = 4-halogen-2-[(8-quinolylimino)methyl]phenolate; dipic = 2,6-pyridinedicarboxylate; X = F 1, Cl 2, Br 3 and I 4).</div><div>Compounds 1 and 2 exhibit triclinic symmetry (P1̅), whereas 3 and 4 crystallise in monoclinic P21/n. The crystal packing shows self-sorting of the ligands with - interactions between the qsal-X ligands and overlap of the dipic ligands to form a 1D chain, that is supported by C-H···O interactions. In 1 and 2, the cross-section of the 1D chain is square, while for 3 and 4, it is rectangular. In the former, the dipic ligands interact through C=O··· interactions, while - interactions are found in 3 and 4. Neighbouring chains are connected via - interactions involving the quinoline rings, but their relative position is driven by the preference of 1 and 2, for C-H···X interactions, whereas 3 and 4 form O···X halogen bonds. The nature and topology of the electron density of these interactions have been investigated using molecular electrostatic potential (MEP) mapping, quantum theory of atoms in molecules (QTAIM) and ‘non-covalent interactions’ (NCI) analysis. UV-Visible experiments show MLCT bands associated with the qsal-X ligands, confirming the structure is stable in solution. Electrochemical studies reveal slight tuning of the Fe3+/Fe2+ redox couple showing a linear relationship between E° and the Hammett parameter σp.</div><div><br></div>

Interplay of Halogen and Hydrogen Bonding in a Series of Heteroleptic iron(III) Complexes

<div>The influence of the halogen substituent on crystal packing and redox properties is investigated in a series of heteroleptic complexes [Fe(qsal-X)(dipic)]MeOH (qsal-X = 4-halogen-2-[(8-quinolylimino)methyl]phenolate; dipic = 2,6-pyridinedicarboxylate; X = F 1, Cl 2, Br 3 and I 4).</div><div>Compounds 1 and 2 exhibit triclinic symmetry (P1̅), whereas 3 and 4 crystallise in monoclinic P21/n. The crystal packing shows self-sorting of the ligands with - interactions between the qsal-X ligands and overlap of the dipic ligands to form a 1D chain, that is supported by C-H···O interactions. In 1 and 2, the cross-section of the 1D chain is square, while for 3 and 4, it is rectangular. In the former, the dipic ligands interact through C=O··· interactions, while - interactions are found in 3 and 4. Neighbouring chains are connected via - interactions involving the quinoline rings, but their relative position is driven by the preference of 1 and 2, for C-H···X interactions, whereas 3 and 4 form O···X halogen bonds. The nature and topology of the electron density of these interactions have been investigated using molecular electrostatic potential (MEP) mapping, quantum theory of atoms in molecules (QTAIM) and ‘non-covalent interactions’ (NCI) analysis. UV-Visible experiments show MLCT bands associated with the qsal-X ligands, confirming the structure is stable in solution. Electrochemical studies reveal slight tuning of the Fe3+/Fe2+ redox couple showing a linear relationship between E° and the Hammett parameter σp.</div><div><br></div>