Search results for "bond"
showing 10 items of 3527 documents
Die unsymmetrischen Cyclooctadienine: 1,3‐Cyclooctadien‐5‐in und 1,6‐Cyclooctadien‐3‐in
1985
Verschiedene Varianten des synthetischen Zugangs zu den beiden Titelverbindungen 15 und 45 werden diskutiert. 15 und 45 konnen in situ umgesetzt werden. Fur die Isolierung in reiner Form ist ihre mittlere Lebensdauer zu gering. Sie isomerisieren sich auf der C8H8-Energiehyperflache zu Styrol (47) und/oder Benzocyclobuten (22).
Hydrolysis and chemical speciation of (C2H5)2Sn2+, (C2H5)3Sn+ and (C3H7)3Sn+ in aqueous media simulating the major composition of natural waters
2001
The hydrolysis of (C 2 H 5 ) 2 Sn 2+ , (C 2 H 5 ) 3 Sn + and (n-C 3 H 7 ) 3 Sn + has been studied, by potentiometric measurements ([H + ]-glass electrode), in NaNO 3 , NaCl, NaCl/Na 2 SO 4 mixtures and in a synthetic seawater (SSWE), as an ionic medium simulating the major composition of natural seawater, at different ionic strengths (0 ≤ I ≤ 5 mol dm -3 ) and salinities (15 ≤ S ≤ 45), and at t = 25 °C. Five hydrolytic species for (C 2 H 5 ) 2 Sn 2+ , three for (C 2 H 5 ) 3 Sn + and two for (C 3 H 7 ) 3 Sn + are found. Interactions with the anion components of SSWE, considered as single-salt seawater, are determined by means of a complex formation model. A predictive equation for the calcul…
The Interplay of Hydrogen Bonding and Multiple Metal Binding – A New Cyclic Polyaminopolyalcohol Ligand as Building Block for the Construction of Mic…
2011
Cyclohexane-based polyaminopolyalcohols (PAPAs) such as 1,3-diamino-1,2,3-trideoxy-cis-inositol (daci) have been prepared by hydrogenation of suitable aromatic precursors. The pentanuclear complex [Cu5(daci)4(H–2daci)2](SO4)3·18H2O (C3) revealed antiferromagnetic and ferromagnetic interactions between the CuII centers with an S = 3/2 ground state. The microporous structure of C3 exhibited a dehydration/rehydration reaction with an entirely amorphous dehydrated phase at 150 °C and a completely reversible rehydration process at 30 °C. The potential of PAPA ligands for forming polynuclear complexes and supramolecular, hydrogen-bonded networks is discussed.
Synthesis, Structure and Properties of a Mixed Mononuclear/Dinuclear Iron(II) Spin-Crossover Compound with the Ligand 4-(p-Tolyl)-1,2,4-triazole
1999
A new iron(II) compound with the formula [Fe2(L)5(NCS)4]2[Fe(L)2(NCS)2(H2O)2] (I) [where L = 4-(p-tolyl)-1,2,4-triazole] has been synthesized and subjected to X-ray structure determination. Compound I crystallizes in the triclinic space group P–1 (no. 2) with a = 14.5785(11), b = 16.1253(11), c = 16.1963(8) A, α = 80.930(5), β = 85.796(5), γ = 78.132(6)°, V = 3676.2(4) A3. The structure refinement converged to wR2 = 0.172, RF = 0.084. The structure was found to consist of two types of iron-containing structural units, a mononuclear unit and a dinuclear one. The mononuclear unit has a crystallographic inversion centre, and is coordinated by two NCS anions, two triazole N1 nitrogen atoms, and…
A unique single carboxylate-bridged spin-frustrated chiral Mn(II) metallatriangle.
2010
The reaction between Hmbpymca ligand (prepared in situ from the hydrolysis of 5-methyl-4-cyano-bispyrimidine with NaOH and further neutralization with 2 M HCl) and Mn(ClO(4))(2)·4H(2)O in 1:1 molar ratio afforded the triangulo-trimanganese(II) complex [Mn(3)(bpymca)(3)(H(2)O)(6)]Cl(3)·6H(2)O 1. The chloride anions in this complex come from the HCl used in the neutralization process. The molecular structure of 1 consists of cationic molecular triangles [Mn(3)(μ-mbpymca)(3)(H(2)O)(6)](3+) with C(3) symmetry, chloride anions and crystallization water molecules, all of them involved in an extensive network of hydrogen bonds, leading to a chiral network. Within the [Mn(3)(μ-mbpymca)(3)(H(2)O)(6)…
A triple-bridged azido-Cu(II) chain compound fine-tuned by mixed carboxylate/ethanol linkers displays slow-relaxation and ferromagnetic order: synthe…
2014
A new azido-Cu(II) compound, [Cu(4-fba)(N3)(C2H5OH)] (4-fba = 4-fluorobenzoic acid) (1), has been synthesized and characterized. The X-ray crystal structure analysis demonstrates that only one crystallographically independent Cu(II) ion in the asymmetric unit of 1 exhibits a stretched octahedral geometry in which two azido N atoms and two carboxylic O atoms locate in the equatorial square, while two ethanol O atoms occupy the apical positions, forming a 1D Cu(II) chain with an alternating triple-bridge of EO-azido, syn,syn-carboxylate, and μ2-ethanol. The title compound consists of ferromagnetically interacting ferromagnetic chains, which exhibit ferromagnetic order (Tc = 7.0 K). The strong…
Bonding Trends in Lewis Acid Adducts of S 4 N 4 – X‐ray Structure of TeCl 4 ·S 4 N 4
2006
Tetrasulfur tetranitride and tellurium tetrachloride react in dichloromethane to form a 1:1 adduct TeCl4·S4N4 (1). The crystal structure of 1 shows that TeCl4 is bonded to the S4N4 ring through a Te–N linkage. As a consequence, the transannular S···S bonds in S4N4 are broken and the molecule assumes an open, monocyclic conformation. The Te–N bond of 2.16(1) A is slightly longer than the single bond. The S–N bonds span a range of 1.55(1)–1.67(1) A. The adduct 1 was also characterized by mass spectrometry and Raman spectroscopy. The bonding and spectroscopic properties of 1 are compared by DFT calculations at the B3PW91/(RLC ECP) level of theory with those of BF3·S4N4 (2), SO3·S4N4 (3), AsF5·…
Synthesis, crystal structures and magnetic properties of a P-stereogenic ortho-(4-amino-tempo)phosphinic amide radical and its CuII complex
2021
The synthesis of phosphinic amides containing one 4-amino-TEMPO substituent at the ortho position has been achieved through copper(I) catalyzed cross-coupling reactions of ortho-iodophosphinic amides with 4-amino-TEMPO. The method has been extended to the preparation of the first example of a P-stereogenic ortho-(4-amino-tempo)phosphinic amide radical 10. The reaction of 10 with Cu(hfac)2 afforded the P-stereogenic CuII complex 19. The crystal structure of both chiral compounds is reported. The molecular structure of 10 consists of a supramolecular zig-zag chain formed by intermolecular hydrogen bonds between the NH group of the phosphinic amide moiety and the nitroxide oxygen atom. In comp…
The Role of C–H···H–B Interactions in Establishing Rotamer Configurations in Metallabis(dicarbollide) Systems
2010
The aim of this work is to explore the self-interaction capability of the anion [3,3′-Co(1,2-C2B9H11)2]– through Ccluster–H···H–B (Cc–H···H–B) dihydrogen bonds. A set of theoretical and empirical data aiming to establish the main rules that account for the binding mode between the negatively charged borane framework made by [3,3′-Co(1,2-C2B9H11)2]– and the [NMe4]+ ions have been compiled. The interaction between cation and anion is mainly electrostatic but the covalent contribution is also proven and quantified. The existing intermolecular H···H short contacts have been studied and are compared with available data from the Cambridge Structural Database. The results show that the electronic …
Über Phosphor‐haltige Heterocyclen I. Kristallstruktur von trans ‐1,6‐Diphenyl‐1λ 5 ,6λ 5 ‐diphosphacyclodecan‐1,6‐dion‐Dihydrat
1974
Die Struktur der Titelsubstanz (2) wurde rontgenographisch bestimmt und bis zu einem konventionellen R von 0.039 verfeinert. 2 ist zentrosymmetrisch. Der 10-Ring besitzt die bei Cyclodecan-Derivaten (3) ubliche Konformation niedrigster Spannungsenergie. 2 und 3 haben vergleichbare Pitzer- und Baeyer-Spannung, die transannularen Wechselwirkungen sind jedoch in 2 verringert. Die geminalen Phenyl- und Oxo-Substituenten stehen beide extra-annular (Phenyl trans-pseudoaxial, Oxo trans-pseudoaquatorial). Mittlerer CP-Abstand 1.804(3) A, PO-Abstand 1.502(3) A. Die Struktur besteht aus uber PO…HOH…OP-Wasserstoffbrucken verbundenen 2-Molekulen. On Heterocyclic Systems Containing Phosphorus, I. Crysta…