The Cover Feature shows the molecular structures of the new BINAP based carbodiphosphorane ligand and two metal complexes thereof. In the center, the BINAP carbodiphosphorane ligand is highlighted by a big red-orange circle, representing its photoluminescent properties. On the right, two copper complexes with BINAP carbodiphosphorane ligands loom behind the big circle: a bimetallic copper complex at the top and a homoleptic bis-carbodiphosphorane copper complex at the bottom. These complexes are also highlighted by red-orange circles, pointing to their photoluminescence emission spectra. More information can be found in the Research Article by I. Kuzu and co-workers. Background artwork painted by Leonie Eckert, Marburg.

The synthesis of a new 24-membered macrocyclic bis-Schiff base, L1, and its corresponding binuclear cobalt(II) complex, [Co2(L1)2(Cl)4], 1, is reported. Compound L1 and complex 1 have been characterized by elemental analysis, FT-IR, 1H NMR, and UV-VIS spectroscopy as well as mass spectrometry. Furthermore, the molecular structures of the synthesized compounds were determined using single crystal X-ray diffraction analysis. The crystal structure of the binuclear cobalt(II) complex, 1, revealed that each ligand acts as a bidentate chelating one and links the metal ions through endocyclic nitrogen atoms of its 1,2,4-triazole moieties. The determined molecular structure as well as the UV-Vis studies indicated a tetrahedral geometry for complex 1. Moreover, the thermal stability of complex 1 has been investigated via thermogravimetric analysis (TGA). The product of pyrolysis of complex 1 was characterized as highly pure nano-scaled Co3O4 (mean crystallite size: 57 nm) by using a series of techniques including powder X-ray diffraction (P-XRD) and energy-dispersive X-ray spectroscopy (EDX). The biological activities of L1 and complex 1, including antibacterial and antifungal activities were evaluated. The antibacterial activity was tested against Gram-negative (Escherichia coli, E. coli ATCC 29232) and Gram-positive (Staphylococcus aureus, S. aureus ATCC 25922) organisms. Also, the pathogenic fungi Candida albicans (C. albicans, ATCC 10231) and Saccharomyces cerevisiae (S. cerevisiae, BY 4741) were used for antifungal tests. The synthesized cobalt(II) complex displayed moderate to good antifungal activity.

The synthesis and characterization of a novel palladium complex based on a bioactive 3-mercapto-1,2,4-triazine derivative have been investigated. The Pd( ii ) complex showed excellent anticancer and antibacterial activity.

refinement for all carbon atoms. The cell contains a heavily disordered THF molecule: therefore, the SQUEEZE function of PLATON 4 was applied. The SQUEEZE procedure omitted about 15.0 e/pm 3 ·10 –6 . These remaining electron densities could be assembled to two strongly disordered THF molecules: one of them with an occupation parameter of 1.0 and the other with an occupation parameter of The crystal structure of the salt [dihydrido-hexaphenylcarbodiphosphoran][chlorid][trichlorido-triphenylphosphino-platinat] was determined by X-ray crystallography. The title compound crystallizes in the monoclinic space group with the cell parameters a = 38.858(3)Å, b = 10.851(1)Å, c = 27.666(2)Å, α = 90 ° , β = 109.07(1) ° , γ = 90 ° , V = 11025(2)Å 3 , Z = 8. The crystal structure was solved by direct methods and refined by full-matrix least-squares on F 2 to final values of R 1 = 0.0771 and wR 2 (all data)= 0.1732, T = 100(2)K.

Reactions of carbodiphosphorane (CDPR) ligands with equimolar quantities of group 1 and Fe(II) bis (trimethylsilyl)amides result in the isolation of discrete CDP-stabilized ion pairs, [M(CDPR)(2)](+)[Fe{N (SiMe3)(2)}(3)] (M = Li, Na; R = hexaphenyl, cyclopropyl-tetraphenyl). X-ray diffraction analysis revealed that the coordination sphere of the cationic group 1 center is provided by two CDPR ligands. In the solid state, we investigated the influence of the ligand substituents on the resulting architecture of the title complexes by utilizing different CDP ligands. In solution, we examined the stability of these complexes by variable temperature NMR spectroscopy. This study revealed that all title complexes show lability in solution due to dynamic processes: they are subject to a chemical exchange with the corresponding starting materials. (C) 2021 Elsevier Ltd. All rights reserved.

The synthesis of a novel silver(l) coordination polymer based on a bis 1,2,4-triazole derivative, namely {[Ag(L)](NO3)}(n) (1, L = 1,4-bis(1,2,4-triazolyl-3-sulfanylmethyl)benzene), has been reported. The silver (I) complex has been characterized by FT-IR-, H-1 NMR-spectroscopy, mass spectrometry, and elemental analysis. The crystal structure of 1 has been determined by single-crystal X-ray diffraction. According to the determined molecular structure of 1, its structure can be described as a layer package. The thermal behavior of the synthesized complex has also been investigated. The pyrolysis product of complex 1 was characterized as a highly pure, uniform silver nanosheets (thickness: ca. 35 nm) using a series of techniques including X-ray powder diffraction, energy-dispersive X-ray, and scanning electron microscopy. The remarkable advantage of this approach is to fabricate the desired Ag nanostructure using a convenient metal complex. (C) 2021 Elsevier Ltd. All rights reserved.

Previous reports in the literature describe that the crystallization of hexaphenyl carbodiphosphorane (CDPPh) from a variety of solvents gives a "bent" geometry for the P-C-P moiety as the solid-state molecular structure. However, a linear structure is observed when CDPPh is crystallized from benzene. Here, we report detailed spectroscopic and theoretical studies on the linear and bent structures. X-ray powder diffraction examinations show a phase transition of linear CDPPh upon the loss of co-crystallized benzene molecules, which is accompanied by the bending of the P-C-P unit. Studies on the linear and bent structures (i.e., X-ray powder diffraction, solid-state NMR, UV-vis spectroscopy, and IR spectroscopy) show significant differences in their properties. Investigations of the solid-state structures with density functional theory-based methods (PBE-D3) point toward subtle dispersion effects being responsible for this solvent-induced bond-bending isomerism in CDPPh.

We present the syntheses of trigonal planar coordinated Fe(ii) carbodiphosphorane (CDPR) complexes, starting from iron(ii)-bis(trimethylsilylamide) [Fe{N(SiMe3)2}2] and hexaphenyl-(CDPPh) and sym-dimethyltetraphenyl-carbodiphosphoranes (CDPMe), respectively. Both complexes [CDPPh-Fe{N(SiMe3)2}2] (1) and [CDPMe-Fe{N(SiMe3)2}2] (2) were examined in solution and in the solid state. 1 shows a dissociation equilibrium in solution which we monitored by variable temperature 1H-NMR spectroscopy. Magnetic measurements of 1 and 2 yielded a high spin configuration (S = 2) for both complexes. Quantum chemical calculations were performed to analyze the bonding situation in compound 1.

The reaction ofsym‐dimethyltetraphenyl carbodiphosphorane (CDPMe) with [Ni(CO)4] under standard conditions yields the CDPMe‐ and carbon monoxide‐bridged dinickel pentacarbonyl complex [Ni2(CO)4(µ2‐CO)(µ2‐CDPMe)] (2). However, under an atmosphere of CO(g), reaction of [Ni(CO)4] with CDPMegives the primal target complex [CDPMe‐Ni(CO)3] (3). The complexes were examined in solution (ESI‐MS, NMR) and in the solid state (IR, X‐ray diffraction analysis). The resultingTolman electronic parameter(TEP) and percentage buried volume value (%Vbur) of CDPMeare presented and compared with hexaphenyl carbodiphosphorane (CDPPh). DFT calculations were performed to analyze the bonding situation in complexes2and3.

Herein, we present a series of hexaphenyl carbodiphosphorane (CDPPh) adducts of heavier group 15 trichlorides ECl3 (E = P-Bi). The reaction with PCl3 yields the known salt [CDPPh-PCl2][Cl] ([1][Cl]), the heavier element trichlorides ECl3 (E = Sb (4), Bi (5)) give the neutral adducts CDPPh-ECl3 which were characterised crystallographically and spectroscopically. The reaction of CDPPh with AsCl3 does not yield CDPPh-AsCl3 (2), but in the presence of GaCl3 the corresponding salt [CDPPh-AsCl2][GaCl4] ([3][GaCl4]) is formed. DFT (density functional theory) calculations were carried out to examine the molecular frontier orbitals in 1+-5. Additional reactivity studies revealed an intramolecular electrophilic aromatic substitution (SEAr) in 1+, which represents an excellent starting point for further selective C-P bond formation reactions.

A cadmium(II) complex formulated as, [Cd(amp)(2)(O2NO)(ONO2) (OH2)(2)] H2O (1), (amp = 2-aminopyrimidine) has been synthesized and characterized by elemental analysis and IR spectroscopy as well as by X-ray crystal structure analysis. Its thermal stability by TGA/ DTA methods. Each cadmium(II) ion is seven coordinated in adistorted pentagonal bipyramidal geometry. A wide range of hydrogen bandings (of the O-H center dot center dot center dot O, N-H center dot center dot center dot O, and N-H center dot center dot center dot N types) and pi-pi stacking interactions are also present in the crystal structure. This arrangement leads to the formation of a 3D supramolecular structure.

The synthesis, characterization, and thermal decomposition behaviour of the oxalato-bridged copper(II) coordination polymer [Cu-2(C2O4)(L)(2)Cl-2(MeOH)(2)](n) (1) (L = 3,5-dimethyl-1H-pyrazole) is reported. Complex 1 is prepared in a straightforward fashion by a one-pot reaction of acetylacetone, thiosemicarbazide, oxalic acid and copper(II) chloride in a molar ratio of 2:2:1:2. Complex 1 was characterized by means of FT-IR spectroscopy, mass spectrometry and elemental analysis as well as single-crystal X-ray diffraction. Furthermore, the electrochemical behavior of 1 was investigated in DMSO by cyclic voltammetry. The thermal stability of complex 1 was studied by thermal gravimetric (TG) and differential thermal analyses (DTA). Solventless thermolysis of complex 1 at 550 degrees C and 1000 degrees C under air afforded copper oxide nanoparticles and nanosheets, respectively. The CuO nanostructures were characterized by using a series of techniques including FT-IR, UV/Vis, XRD, XPS, EDAX, and SEM.

Two new palladium(II) complexes of 4-amino-3-methyl-1,2,4-triazol-5-thione (H3L) have been synthesized and characterized. The reaction of H3L, palladium(II) chloride, and sodium acetate in a molar ratio 2:1:2 gave the homoleptic binuclear palladium(II) complex [Pd2(H2L)4]·2DMSO (1), while its treatment with palladium(II) chloride, sodium acetate, and triphenylphosphane in a molar ratio 4:4:7:4 gave the tetranuclear palladium(II) complex [Pd4(H2L)2(HL)(L)(PPh3)4]Cl·7MeOH·3H2O (2) with terminal phosphane ligands. All complexes have been characterized by a combination of IR, 1H and 31P NMR spectroscopy, ESI(+) mass spectrometry, and elemental analysis as well as X-ray diffraction studies. On the basis of determined molecular structures, each triazole moiety in the binuclear complex is singly deprotonated, whereas the centrosymmetric tetranuclear complex contains three different 3-mercapto-1,2,4-triazolate moieties, namely singly, twofold, and threefold deprotonated in its solid state. In the binuclear complex, the triazolate ligands act as N,S-bidentate bridging ones and coordinate with the metal centers in a trans-(2,2) fashion. In the tetranuclear complex, the four triazolate ligands act as bridging agents between four metal centers through their thiol sulfur atoms and their endocyclic nitrogen atoms in a head-to-head fashion. In addition, each deprotonated NH2 group of the ligand acts as bridging agent between two adjacent palladium metals. According to density functional theory calculations, the structural constraints imposed by the bridging deprotonated NH2 groups are responsible for the observed close Pd–Pd distance in this complex. No indication for metallophilic interactions was found.

ChemInformVolume 45, Issue 4 Heterocyclic Compounds ChemInform Abstract: Catalytic Application of Recyclable Silica-Supported Bismuth(III) Chloride in the Benzo[N,N]-heterocyclic Condensation. Kioumars Aghapoor, Kioumars Aghapoor Chem. Chem. Eng. Res. Cent., Tehran, IranSearch for more papers by this authorFarshid Mohsenzadeh, Farshid Mohsenzadeh Chem. Chem. Eng. Res. Cent., Tehran, IranSearch for more papers by this authorAtena Shakeri, Atena Shakeri Chem. Chem. Eng. Res. Cent., Tehran, IranSearch for more papers by this authorHossein Reza Darabi, Hossein Reza Darabi Chem. Chem. Eng. Res. Cent., Tehran, IranSearch for more papers by this authorMitra Ghassemzadeh, Mitra Ghassemzadeh Chem. Chem. Eng. Res. Cent., Tehran, IranSearch for more papers by this authorBernhard Neumueller, Bernhard Neumueller Chem. Chem. Eng. Res. Cent., Tehran, IranSearch for more papers by this author Kioumars Aghapoor, Kioumars Aghapoor Chem. Chem. Eng. Res. Cent., Tehran, IranSearch for more papers by this authorFarshid Mohsenzadeh, Farshid Mohsenzadeh Chem. Chem. Eng. Res. Cent., Tehran, IranSearch for more papers by this authorAtena Shakeri, Atena Shakeri Chem. Chem. Eng. Res. Cent., Tehran, IranSearch for more papers by this authorHossein Reza Darabi, Hossein Reza Darabi Chem. Chem. Eng. Res. Cent., Tehran, IranSearch for more papers by this authorMitra Ghassemzadeh, Mitra Ghassemzadeh Chem. Chem. Eng. Res. Cent., Tehran, IranSearch for more papers by this authorBernhard Neumueller, Bernhard Neumueller Chem. Chem. Eng. Res. Cent., Tehran, IranSearch for more papers by this author First published: 03 January 2014 https://doi.org/10.1002/chin.201404175Read the full textAboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinked InRedditWechat No abstract is available for this article. Volume45, Issue4January 28, 2014 RelatedInformation

The synthesis and characterization of a new dinuclear silver(I) complex containing 4-amino-3-methyl-1H-1,2,4-triazole-5(4H)-thione (L), [[Ag(PPh3)(L)]2](NO3)2 (1), is described. The complex is characterized by elemental analyses, IR, 1H, 13C, and 31P NMR spectroscopy, and mass spectrometry. The molecular structure of the complex is determined by X-ray single-crystal diffraction. On the basis of crystallographic data, the neutral ligand acts as a bidentate N,S donor as well as S-bridging agent between two metal centers.

Z. Naturforsch. 51 b, 637-645 (1996); eingegangen am 14. September 1995 Gallium Compounds, Indium Compound, Crystal Structure (PhCH2)2GaBr (1) can be obtained by the redistribution reaction of GaBr3 with Ga(CH2Ph)3 in a molar ratio 1:2. Treatment of 1 or (PhCH2)2GaCl with one equivalent of LiN(H)/-Bu gives the diorganogallium amide [(PhCH2)2GaN(H)r-Bu]2 (2). The toluene-insoluble PhCH2InCl2 can be structurally investigated after dissolving in THF and crystallization as [PhCH2InCl2(THF)2] (3). 1 3 were characterized with NMR, IR and MS techniques as well as by X-ray structure determinations. 1 forms two crystallographic independent dimers while 2 is a centrosymmetric dimer in the solid state. 3 is a monomer with a trigonal-bipyramidal coordination sphere at the indium center.

The reaction of LnCl(3)center dot 7H(2)O [Ln = La (1), Ce (2)] with salicylic acid (HL) and 1,10-phenanthroline (Phen) at 20 degrees C in H2O/ethanol gave after work-up and recrystallization two novel lanthanide complexes with general formula [Ln(Phen)(2)(L)(3)(HL)]center dot H2O. Compounds 1 and 2 were characterized by IR and UV-Vis spectroscopy, TGA, CHN as well as by X-ray analysis: According to these results, compounds 1 and 2 are isostructural and contain Ln(3+) ions with coordination number nine. Complexes 1 and 2 consist of two Phen, one neutral HI and three L anions (two L anions act as monodentate ligands and the third one is chelating to Ln(3+)). Thermal decomposition led to primary loss of the Phen molecules. Then HL molecules and finally L moieties left the material to give Ln(2)O(3).

Quantum chemical calculations at the BP86/TZVPP//BP86/SVP level of theory have been performed for the isoelectronic series of compounds [(PPh3 )2 C→EH2 ]q (Eq =Be, B+ , C2+ , N3+ , O4+ ). The equilibrium geometries and bond dissociation energies were calculated and the nature of the C→E bond was investigated with charge and energy decomposition methods. The dication [(PPh3 )2 C→CH2 ]2+ could become isolated as a salt compound with two counter ions [AlBr4 ]- . The X-ray structure analysis of [(PPh3 )2 C→CH2 ]2+ gave bond lengths and angles that are in good agreement with the calculated data. The geometry optimization of [(PPh3 )2 C→OH2 ]4+ gave [(PPh3 )2 C→OH]3+ as the equilibrium structure. Bonding analysis of [(PPh3 )2 C→EH2 ]q shows that [(PPh3 )2 C→BeH2 ] and [(PPh3 )2 C→BH2 ]+ possess donor-acceptor bonds in which the σ and π lone-pair electrons of (PPh3 )2 C donate into the vacant orbitals of the acceptor fragment. The multiply charged compounds are better described as substituted olefins [(PPh3 )2 CCH2 ]2+ , [(PPh3 )2 CNH2 ]3+ , and [(PPh3 )2 COH]3+ , which possess electron-sharing σ and π bonds that arise from the interaction between the triplet states of [(PPh3 )2 C]2+ and the respective fragment CH2 , (NH2 )+ , and (OH)+ . The multiply charged cations [(PPh3 )2 CCH2 ]2+ , [(PPh3 )2 CNH2 ]3+ , and [(PPh3 )2 COH]3+ are calculated to be stable toward dissociation.