Polyhedron (POLYHEDRON )

Publisher: Elsevier

Description

Polyhedron publishes original, fundamental, experimental and theoretical work of the highest quality in the major areas of inorganic and organometallic chemistry. Subjects covered include: synthetic and reaction chemistry, kinetics and mechanisms of reactions, bioinorganic chemistry, photochemistry and the use of metal and organometallic compounds in stoichiometric and catalytic synthesis of organic compounds. In addition Polyhedron publishes specially commissioned review articles (Polyhedron Reports) and collections of original research papers Polyhedron Symposia-in-Print) of appropriate timeliness.Papers concerned solely with stability constants determined by potentiometric titration data unsupported by other e.g. spectroscopic techniques will not be acceptable nor will solvent extraction data unless supported by other data of interest to inorganic chemists.

Impact factor 2.05

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    Impact factor
  • 5-year impact
    1.95
  • Cited half-life
    7.20
  • Immediacy index
    0.40
  • Eigenfactor
    0.02
  • Article influence
    0.35
  • Website
    Polyhedron website
  • Other titles
    Polyhedron
  • ISSN
    0277-5387
  • OCLC
    7590197
  • Material type
    Periodical, Internet resource
  • Document type
    Journal / Magazine / Newspaper, Internet Resource

Publisher details

Elsevier

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    • Publisher last contacted on 18/10/2013
  • Classification
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Publications in this journal

  • [Show abstract] [Hide abstract]
    ABSTRACT: The 1:1 condensation of N,N-dimethyl-1,3-diaminoethane with 5-bromosalicylaldehyde, 3-methoxysalicylaldehyde and 3-ethoxysalicyalaldede produces three Schiff bases, HL1 [2-(-(3-(dimethylamino)propylimino)methyl)-4-bromophenol], HL2 [2-(-(3-(dimethylamino)propylimino)methyl)-6-methoxyphenol] and HL3 [2-(-(3-(dimethylamino)propylimino)methyl)-6-ethoxyphenol], respectively. Addition of zinc(II) perchlorate to the methanol solution of HL1 produces a phenoxo bridged dinuclear zinc(II) complex, [Zn2(HL1)4](ClO4)4 (1), where the potential tridentate N2O donor Schiff base, HL1, is trapped in its zwitterionic form and behaves like a bi-dentate ligand. On the other hand, phenoxo bridged dinuclear complexes, [(HL2)Zn2(L2)(dca)2]ClO4 (2) and [(HL3)Zn2(L3)(NCS)2]ClO4·CH3OH (3) are produced by the addition of zinc(II) perchlotate into the methanol solutions of the potential tetradentate Schiff bases, HL2 and HL3, respectively, followed by the addition of sodium dicyanamide or sodium thiocyanate. In both complexes, Schiff bases are trapped in their deprotonated anionic forms and non-deprotonated zwitterionic forms as well. The deprotonated ligands are coordinated in their usual chelating tetradentate manners whereas zwitterionic forms of the non-deprotonated ligands are coordinated to zinc(II) only through the imine nitrogen and phenoxo oxygen, i.e., they behave as bi-dentate ligands. The structures of the complexes have been confirmed by single crystal X-ray diffraction studies. All three complexes are dinuclear and contain Zn2O2 cores. All three complexes show fluorescence.
    Polyhedron 03/2015; 88.
  • [Show abstract] [Hide abstract]
    ABSTRACT: 2,4-Dithiouracil (dtucH2) reacts with [CuX(PPh3)]4 (X = Cl, Br, I) to give dinuclear complexes with different bridging motifs, namely doubly bridged [Cu2(μ-Cl)(μ-S,S-dtucH)(PPh3)4] (1), single bridged [Cu2Br2(μ-S,S-dtucH2)(PPh3)4] (2) and triply bridged [Cu2(μ-I)2(μ-S,S-dtucH2)(PPh3)2] (3). In the structure of 1 the two copper(I) centers are joined by one bridging chlorine atom as well as a 2,4-dithiouracil anion acting as an S,S-donor, while compound 3 contains two bridging iodine atoms besides the neutral bridging 2,4-dithiouracil ligand. The structure of 2 consists of two CuBr(PPh3)2 sub-units joined by the S-atoms of a neutral dtucH2. The biological properties of the new complexes were evaluated in relevance to their binding with calf-thymus double stranded DNA (dsCTDNA) in vitro monitored by mobility shift experiments in agarose gel electrophoresis, and their ability to induce oxidative stress in bacteria Escherichia coli. The experiments showed that these complexes are able to interact with dsCTDNA and to cause DNA damage, and are also able to induce oxidative stress in bacteria. Because of the relevance of these properties, these complexes are regarded as a very promising starting point for biological studies in living systems.
    Polyhedron 03/2015; 88.
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    ABSTRACT: In this paper a novel synthetic route, being a paradigm of the “direct synthesis” approach, is proposed for the preparation of heterometallic Mn/V compounds by a one-pot reaction. Two synthesized complexes, (NH4)2[Mn2(HGly)(H2O)10][V10O28]·(HGly)·2H2O (1) and (NH4)2[Mn(β-HAla)(H2O)5]2[V10O28]·2H2O (2) (HGly = glycine, β-HAla = β-alanine) have been fully characterized by elemental analysis, single-crystal X-ray diffraction, cyclic voltammetry, magnetic susceptibility, FTIR and EPR spectroscopy. Thermal degradation of these compounds lead to the formation of porous, solid mixed oxides V2O5/MnV2O6 in a ratio of 3:2, which were analyzed by X-ray phase analysis and scanning electron microscopy with energy dispersive X-ray microanalysis (SEM/EDX). Additionally the ability of 1 and 2 to act as oxygen evolving water oxidation catalysts under visible light-driven conditions have been studied in a Clark type cell and by ex situ EPR spectroscopy.
    Polyhedron 03/2015; 88.
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    ABSTRACT: Redox-active Ag(I) complexes of phenolic ligands have been synthesized using 4,6-di-tert-butyl-2,3-dihydroxybenzaldehyde isonicotinoyl hydrazone (LI) and 4,6-di-tert-butyl-2,3-dihydroxybenzaldehyde thiosemicarbazone (LII). These novel compounds have been characterized by means of chemical, physico-chemical and pharmacological screening methods. An investigation of the molecular and electronic structures of the Ag(I) complexes has been performed within the density functional theory (DFT) framework. The compounds LI and LII coordinate in their molecular forms and yield [Ag(L)2]NO3 complexes where the silver cation is coordinated by hydroxyl and ketone (or thione) moieties. The lowest MIC value (0.003 μmol ml−1) for the bacteria and fungi tested is characteristic of the complex [Ag(LI)2]NO3. It is comparable with or even lower than the value for some commonly used antibacterial, antifungal and silver-containing pharmaceuticals. The same complex, [Ag(LI)2]NO3, is characterized both by the highest reducing ability (determined electrochemically) and by the highest rate of reduction of bovine heart cytochrome c (determined spectrophotometrically) among the compounds under study.
    Polyhedron 03/2015; 88.
  • [Show abstract] [Hide abstract]
    ABSTRACT: A carboxylate-bridged metal–organic coordination polymer {[Ni2(NA)4(μ-H2O)]·2H2O}n (1, HNA = nicotinic acid) has been synthesized under hydrothermal conditions and characterized by FT-IR, TG/DTA, micro analysis and single-crystal X-ray diffraction. 1 has an interesting 3D network structure and adjacent networks are further connected together via strong π–π packing interactions. The thermal behavior and catalytic performance of 1 were investigated and its selectivity was measured as 100% for the oxidation of thymol (T) to thymoquinone (TQ).
    Polyhedron 03/2015; 88:164-169.
  • [Show abstract] [Hide abstract]
    ABSTRACT: The syntheses and single crystal X-ray structures of the multifunctional acrylamide-derived ligands N-pyrazolyl-2-methylpropanamide (1, = N-ppaMe) and a mixture of 3- and 5-methylpyrazolylpropanamide (2a and 2b, = N-3Meppa/N-5Meppa), and their Mn2+ complexes are reported, as is the Mn2+ complex of N-triazolylpropanamide (3, = N-tpa). The general synthesis involves treatment of MnCl2·4H2O with the appropriate ligand in solution in the presence of triethylorthoformate as dehydrating agent. This way Mn2Cl4(N-ppaMe)2(EtOH)2 (4), [Mn(N-3Meppa)2(N-5Meppa)][MnCl4] (5), and MnCl2(N-tpa)2(EtOH)2 (6) were obtained. In 4 the N-ppaMe ligand acts as N,O-chelating ligand whose oxygens bridge the two Mn2+ ions. The ligands are also chelating in 5. In contrast, monodentate N-coordination via the pyrazolyl ring was found for 6. The molecular and crystal structures of 1, 2a, 4, 5, and 6 have been determined by X-ray diffraction. The extensive hydrogen bonding that occurs in these compounds is discussed.
    Polyhedron 03/2015; 88.
  • [Show abstract] [Hide abstract]
    ABSTRACT: A new tetranuclear [2 × 2] cluster of Cu(II) with a symmetric carbohydrazone based ligand, [Cu4L4](NO3)4·1.6(H2O) (1), {where HL donates bis-[(E)-N’-(1-(pyridin-2-yl)ethylidene)]carbohydrazide} was synthesized and characterized by spectroscopic methods and X-ray analysis. The EPR spectra were performed on single crystals of complex 1 at various temperatures and allowed the identification and separation of two types of magnetic objects contributing to magnetism: single atoms of Cu(II) and a tetranuclear Cu4 cluster. The main values of the g-factor and hyperfine structure were determined for single ions of Cu(II). The copper atoms in the tetramer are coupled antiferromagnetically with an isotropic antiferromagnetic exchange J = 215 K (149.4 cm−1). A small anisotropic exchange of the order of 0.06 K (0.04 cm−1) is responsible for the initial zero-field splitting of the energy levels in the tetramer spectrum. Magnetic measurements of complex 1 confirmed the existence of a strong antiferromagnetic exchange coupling between four Cu(II) ions. Complex 1 showed high potential for the catalytic and selective oxidation of cis-cyclooctene with aqueous H2O2.
    Polyhedron 03/2015;
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    ABSTRACT: The reaction of a polyhydroxy Schiff-base of 2-(((2-hydroxy-3-methoxyphenyl)methylene)amino)-2-(hydroxymethyl)-1,3-propanediol (H4L) with lanthanide(III) nitrate salts in the presence of triethylamine as the base afforded five nonanuclear lanthanide clusters with sandglass-like topology, namely, [Ln9L4(μ4-OH)2(μ3-OH)8(NO3)8(CH3OH)2 (H2O)2](NO3)·xMeOH·yH2O·zCH2Cl2 (Ln = Tb (1, x = 7), Dy (2, x = 4, y = 9), Ho (3, x = 4, y = 6), Er (4, x = 7), Yb (5, x = 4, z = 3)). They were characterized by single-crystal X-ray diffraction, elemental analyses, IR spectroscopy and magnetic susceptibility. The magnetic studies of 1–5 revealed the presence of dominant antiferromagnetic interactions between their metal centers. The DyIII analogue shows single-molecule magnetism behavior.
    Polyhedron 03/2015; 88.
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    ABSTRACT: The prototypical ferroelectric system BaTiO3 is an oxide with a perovskite-type structure that exhibits a textbook example of multiple phase transitions associated with an out-of-centre distortion of the octahedral Ti4+ cations. This research combines the double-well potentials model and the bond valence model, to provide an explanation for the cubic–tetragonal–orthorhombic–rhombohedric phase transition sequence. It is shown that to consider the atomic displacements can only occur in the strict respect of their valence, which is calculated with the bond valence model, is sufficient to lead to the clear prediction of the whole transition sequence.
    Polyhedron 03/2015; 88.
  • [Show abstract] [Hide abstract]
    ABSTRACT: The chelation abilities of 2-aminophenol and 3,4-dihydroxybenzoic acid with divalent metal ions (Cu2+, Be2+, Zn2+, Ni2+, Co2+ and Mn2+) in binary and ternary systems at 37 ± 0.1 °C and an ionic strength of 0.15 mol dm−3 NaCl were systematically investigated by using the potentiometric titration method. The chelating abilities of these complexes were obtained by processing the titration data using the Hyperquad2008 program and the results are presented as stability constants. In a binary system, it was shown that metal complexation involving 3,4-dihydroxybenzoic acid (ligand D) is more stable than the one with 2-aminophenol (ligand A). The stability of the formed metal complexes, both in binary and ternary systems, decreases in the following order: Cu2+ > Be2+ > Zn2+ > Ni2+ > Co2+ > Mn2+. The tendency of these metals and ligands to form binary or ternary complexes was also evaluated and discussed by calculating their Δlog KM and log X values. In addition, the distribution of complex species in these systems was graphically presented using the HySS2009 program. UV–Vis spectrophotometry was also performed to qualitatively verify the protonation of these ligands and to confirm the model of the complex formed.
    Polyhedron 03/2015; 88.
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    ABSTRACT: A novel three dimensional (3D) coordination polymer [Sm(pic)2(pydc)4(H2O)]n (pydc = pyridine-2,5-dicarboxylate, Hpic = picolinic acid) (1) has been synthesized hydrothermally and characterized by elemental analysis, FT-IR, TG/DTA, single-crystal X-ray diffraction analysis and powder X-ray diffraction (PXRD). This compound crystallizes in the monoclinic space group P21/c with cell parameters a = 9.3041(13) Å, b = 14.216(2) Å, c = 10.5401(15) Å, V = 1387.72(30) Å3 and Z = 4. Complex 1 has a distinct 3D open-framework architecture due to the presence of picolinic ligands, which are converted from 2,5-pydc ligands by in-situ decarboxylation under the hydrothermal conditions. The compound exhibits strong luminescent emissions because of the f-f transitions of the Sm(III) ion at room temperature. According to TGA/DTA analysis, the coordination polymer is thermally stable up to ∼300 °C.
    Polyhedron 03/2015; 88.
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    ABSTRACT: The new organic inorganic compound [C8H10NO]2CdCl4 crystallizes at room temperature in the orthorhombic system (CmCa space group) with the following unit cell parameters: a = 19.9803(5) Å, b = 15.3829(3) Å, c = 13.8168(3) Å and Z = 8. The atomic arrangement can be described as an alternation of organic/inorganic layers along the a direction. The organic layer is built up by one type of [C8H10NO]+ cation and the inorganic layer is built up by isolated and distorted tetrahedral CdCl42− anions. The TGA–DTA curves revealed two endothermic peaks. The first peak may be due to a phase transition, while the second peak corresponds to the decomposition point. Additionally analysis of the dielectric constants ε′ and ε″ versus temperature at several frequencies shows a relaxation process which could be due to disorder in the lattice.
    Polyhedron 03/2015; 88.
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    ABSTRACT: Two novel coordination polymers [Ce(PDOA)(NO3)(H2O)2]n (1) and {[Ce(PDOA)(NO3)(H2O)3]·H2O}n (2) (PDOA = o-phenylenedioxydiacetato) have been prepared using hydrothermal conditions and have been structurally characterized. In both crystal structures 1 and 2 the Ce(III) atoms are decacoordinated by oxygen atoms from PDOA ligands with chelating and bridging functions, chelating nitrato ligands and aqua ligands. While in 1 the PDOA ligand presents a hexadentate coordination mode, in 2 it is coordinated in a pentadentate manner; this difference leads to different types of one-dimensional structural motifs: in 2 there are zig–zag chains of the –Ce–O–C–O–Ce– type with syn–anti carboxylate bridges and in 1 these chains are additionally interlinked by further syn–anti carboxylate bridges leading to a strip- or ribbon-like arrangement formed of {Ce3} fused triangles. The endothermic dehydration of 1 within the temperature range 69–199 °C is at least a two-step process as suggested by TG and DTA methods. A variable temperature (2–300 K) magnetic study reveals Curie–Weiss behavior for 1 with θ = −35.5 K observed above 50 K. The origin of the observed behavior is discussed.
    Polyhedron 03/2015; 88.
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    ABSTRACT: The convenient synthesis of four new octahedral ruthenium(II) carbonyl benzoylhydrazone complexes of the general molecular formula [Ru(L)Cl(CO)(PPh3)] (where HL = substituted 2-acetylpyridine benzoylhydrazones; the H represents the dissociable proton) has been described. The characterization of the complexes was accomplished by spectroscopic (FT-IR, 1H NMR, UV–Vis) techniques as well as by elemental (C,H,N) analysis. A single crystal X-ray diffraction study of a representative complex, [Ru(L1)Cl(CO)(PPh3)] (1), confirms a pincer-like N,N,O coordination mode of the benzoylhydrazone ligand via the pyridine N, the azomethine N and the deprotonated amide O atoms, with the formation of two five-membered fused chelate rings, and indicates a distorted octahedral geometry around the ruthenium(II) centre. Further, the catalytic efficiency of complex 1 has been investigated for the transfer hydrogenation of substituted acetophenones to the corresponding secondary alcohols. The influence of base and catalyst loading in the transfer hydrogenation reaction was also evaluated. The complexes were found to be efficient catalysts in the presence of iso-propanol/KOH with conversions up to 99.2%.
    Polyhedron 03/2015; 88.
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    ABSTRACT: We report on the synthesis, photophysical and nonlinear optical behavior of tetra-substituted alkynyl indium phthalocyanine complexes (3a and 3b). Both complexes showed large triplet quantum yields. Nonlinear optical properties were also evaluated for the two complexes at a wavelength of 532 nm using nanosecond Z-scan technique in dimethylsulfoxide. We observed two-photon absorption (2PA) and strong reverse saturable absorption (RSA) as the dominant mechanisms at nanosecond laser excitation. The underlining 2PA and observed RSA were subjected to further scrutiny by comparing the analytical absorption model to the transmittance optical absorption theory. The theoretical results were in good agreement to the observed RSA and the 2PA mechanism. Large two-photon absorption cross-section (1.29 × 10−42 and 1.15 × 10−42 cm4 s/photon), third-order susceptibility (2.10 × 10−14 and 2.15 × 10−14 esu) and hyperpolarizability (2.70 × 10−32 and 3.19 × 10−32 esu) were estimated for complex 3a and 3b, respectively.
    Polyhedron 03/2015; 88.
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    ABSTRACT: Three new cis-dioxomolybdenum(VI) complexes, [MoO2(L1)(CH3OH)] (1), [MoO2(L2)(CH3OH)] (2), and [MoO2(L3)(CH3OH)] (3) have been synthesized using three different tridentate hydrazone Schiff bases, (E)-N′-(4-oxopentan-2-ylidene)isonicotinohydrazide (H2L1), (E)-N′-(4-oxo-4-phenylbutan-2-ylidene)isonicotinohydrazide) (H2L2), and (E)-N′-(2,3-dihydroxybenzylidene)benzohydrazide (H2L3), respectively. The ligands and their metal complexes were characterized by different physicochemical techniques. The molecular structures of the complexes were conclusively established by single crystal X-ray diffraction which reveals that six coordinated molybdenum(VI) atom adopts distorted octahedral geometry. The tridentate hydrazone coordinates to the metal centers in their di-anionic form. The crystal packing of the complexes also reveals that classical hydrogen bonding between adjacent units result in stair-like 1D structure for 1 while an interlocked dimer for 2 and 3, respectively. Crystal packing also reveals that further non-classical interactions lead to 2D (for 1 and 3) and 3D (for 2) supramolecular structures in their solid state. Hirshfeld surface analyses were carried out to get insight to the intermolecular interactions. Thermal stabilities and electrochemical behavior of the complexes have also been investigated.
    Polyhedron 03/2015; 88.
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    ABSTRACT: Eight- or nine-coordinated trivalent praseodymium complexes derived from para-substituted benzoic acids have been synthesized by the reaction of hydrated Pr(OH)3 with 4-XC6H4CO2H, where X = OMe, H, Cl, NO2, OH, NH2 or F, in dimethylformamide [DMF, (CH3)2NCHO], and eight single crystal X-ray structures have been determined. For the substituted systems studied, dimeric units hydrogen-bonded into chains or networks are observed in complexes comprising electron-donating groups X, whereas electron-withdrawing groups X form polymeric complexes. However, the steric effect of the ligand and the coordination of solvated molecules also play roles in determining the coordination polyhedra. The coordination geometry of the carboxylate ligand in these complexes is restricted to three types: bidentate chelating (η2); bridging bidentate (μ-η1:η1 (O,O′)) and bridging chelating tridentate (μ-η2:η1). Two geometrical isomers, of [Pr(C6H5COO)3(DMF)(H2O)]2, designated as a and b, crystallize in the same monoclinic space group but differ in the arrangement of C6H5COO and DMF ligands in their coordination polyhedra. The packing of isomer a is more efficient than that of b, resulting in a smaller unit-cell volume of about 50 Å3.
    Polyhedron 03/2015; 88.
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    ABSTRACT: Reaction of Cu(NO3)2·3H2O and 2-hydroxy-3-methoxybenzaldehyde (HL) in methanolic medium results [CuL2]·4H2O (1) [L− = 3-methoxy-2-oxo-benzaldehyde]. The complex was characterized by elemental analysis, IR, single crystal X-ray structure determination and DFT calculation. The X-ray single crystal structure determination reveals that 1 is a discrete mononuclear four coordinated complex with the metal in square planar coordination geometry and four lattice water molecules. The complex form dimer around the center of symmetry with short Cu⋯O interaction and exhibits intense fluorescence (λex = 270 nm, λem = 311, 328, 355 and 367 nm) in methanolic solution at room temperature with a fluorescence quantum yield Φs = 3.5. The complex 1 was tested with several aromatic compounds such as m-toluidine, aniline, nitrobenzene and o-nitrotoluene, and the results show that a pronounced fluorescence quenching and enhancement is observed in the presence of nitrobenzene and m-toluidine, respectively. Catecholase activity of 1 has been investigated in methanol medium by UV–Vis spectrophotometric study using 3,5-di-tert-butylcatechol (3,5-DTBC) as model substrate reveals that 1 is active for catalyzing aerobic oxidation of 3,5-di-tert-butylcatechol to 3,5-di-tert-butylbenzoquinone (3,5-DTBQ). The optimized geometry from density functional theory (DFT) study shows a good agreement with X-ray structural data. The electronic and IR spectrum of this compound is compared with result obtained by employing DFT and time dependent density functional theory (TD-DFT) calculation.
    Polyhedron 03/2015; 88.
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    ABSTRACT: Four new coordination polymers [Cu(oba)(phen)] (1), [Co(oba)(phen)] (2), [Ni2(oba)2(bpe)] (3) and [Ni(oba)(bpe)1.5]·2.5H2O (4) [H2oba = 2,2′-oxybis(benzoic acid), phen = 1,10-Phenanthroline, bpe = 1,2-bis(4-pyridyl)ethylene] were synthesized by hydrothermal reactions and characterized by single-crystal X-ray diffraction, thermogravimetric analyses, IR spectroscopy and elemental analysis. Compound 1 shows a discrete binuclear structure. Compound 2 is a right-handed 1D helical chain, though π–π stacking interactions to form a 2D wavelike network. Compound 3 displays a 2D wavy layer with the paddle-wheel SBUs. Compound 4 features a 2-fold interpenetrating 3D structure with 2D brick-wall networks. The magnetic properties of compounds 1, 2 and 4 have also been investigated. According to the crystal structures, the full geometry optimizations of compounds 1–4 were carried out by using hybrid DFT methods at B3LYP/6-31G(d) level. Meantime, the DFT-BS approach was applied to study the magnetic coupling behavior for compounds 1, 2 and 4, the result reveals that the calculated exchange coupling constants J were in good agreement with the experimental data.
    Polyhedron 03/2015; 88.