Search results for "ether"

CCDC 711624: Experimental Crystal Structure Determination

2011

Related Article: J.Bares, V.Sourek, Z.Padelkova, P.Meunier, N.Pirio, I.Cisarova, A.Ruzicka, J.Holecek|2010|Collect.Czech.Chem.Commun.|75|121|doi:10.1135/cccc2009093

CCDC 1490105: Experimental Crystal Structure Determination

2016

Related Article: B. Abu Thaher, D. Schollmeyer, S. Laufer|2016|IUCrData|1|x161081|doi:10.1107/S2414314616010816

Lithium Cation-Catalyzed Benzene Diels-Alder Reaction: Insights on the Molecular Mechanism Within the Molecular Electron Density Theory.

2020

The lithium cation Li+-catalyzed Diels-Alder (DA) reactions of benzene toward a series of acetylenes of improved nucleophilicity can be described within the context of the molecular electron density theory (MEDT) at the ωB97XD/6-311G(d,p) level. Conceptual density functional theory indices characterize the crown ether solvated complex benzene-lithium Bz-Li-Cro as a superelectrophile. Coordination of a lithium cation to benzene does not change substantially the electron localization function electronic structure of benzene. The DA reaction of Bz-Li-Cro with acetylene shows a reduction of the energy of activation of 6.9 kcal·mol-1, which is not sufficient for the reaction to take place, thus …

Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors

2016

Two ditopic uranyl salophen receptors with benzo-15-crown-5 and benzo-18-crown-6 units (R(1) and R(2), respectively) have been synthesized from commercially available starting materials. Comprehensive studies on the solid-state ion pair complexation with various alkali and ammonium halides have been conducted. From the 19 obtained solid-state structures (6 structures with R(1), 13 structures with R(2)), three general interaction motifs I-III have been observed. Interaction motif I has a separated ion pair with the cation coordinated to the crown ether unit, and the anion or oxygen containing solvent molecule coordinated to the uranyl center. The interaction motif II manifests a polymeric st…

Assembly and dichroism of a four-component halogen-bonded metal-organic cocrystal salt solvate involving dicyanoaurate(I) acceptors

2017

We describe the use of dicyanoaurate ions as linear ditopic metal–organic acceptors for the halogen bond-driven assembly of a dichroic metal–organic cocrystal based on azobenzene chromophores. Structural analysis by single crystal X-ray diffraction revealed that the material is a four-component solid, consisting of anticipated anionic metal–organic halogen-bonded chains based on dicyanoaurate ions, as well as complex potassium-based cations and discrete molecules of the crown ether 15-crown-5. Importantly, the structural analysis revealed the parallel alignment of the halogen-bonded chains required for dichroic behaviour, confirming that crystal engineering principles developed for the desi…

Reductions of M{N(SiMe3)2}3 (M = V, Cr, Fe): Terminal and Bridging Low-Valent First-Row Transition Metal Hydrido Complexes and “Metallo-Transaminatio…

2021

The reaction of the vanadium(III) tris(silylamide) V{N(SiMe3)2}3 with LiAlH4 in diethyl ether gives the highly unstable mixed-metal polyhydride [V(μ2-H)6[Al{N(SiMe3)2}2]3][Li(OEt2)3] (1), which was structurally characterized. Alternatively, performing the same reaction in the presence of 12-crown-4 affords a rare example of a structurally verified vanadium terminal hydride complex, [VH{N(SiMe3)2}3][Li(12-crown-4)2] (2). The corresponding deuteride 2D was also prepared using LiAlD4. In contrast, no hydride complexes were isolated by reaction of M{N(SiMe3)2}3 (M = Cr, Fe) with LiAlH4 and 12-crown-4. Instead, these reactions afforded the anionic metal(II) complexes [M{N(SiMe3)2}3][Li(12-crown-…

Unveiling the nature of supramolecular crown ether–C60 interactions

2015

A series of exTTF-(crown ether)2 receptors, designed to host C60, has been prepared. The size of the crown ether and the nature of the heteroatoms have been systematically changed to fine tune the association constants, which were determined by a number of complementary spectroscopic techniques. Electrochemical measurements and transient absorption spectroscopy assisted in corroborating charge transfer in the ground state and in the excited state, leading to the formation of radical ion pairs featuring lifetimes in the range from 12 to 21 ps. To rationalize the nature of the exTTF-(crown ether)2$C60 stabilizing interactions, theoretical calculations have been carried out, suggesting a syner…

Novel Tetramethoxy Resorcinarene Bis-Crown Ethers

2006

The synthesis and characterization of new tetramethoxy resorcinarene bis-crown ethers BC4 and BC5 are described. The complexation properties of the compounds toward alkali metal cations were studied by 1H NMR spectroscopy and X-ray crystallography, which revealed that BC5 can accommodate two cations simultaneously inside the crown pockets formed by the crown ether bridges and the resorcinarene skeleton. [reaction: see text].

1981

Polyamides 3 containing constant and definite numbers of oxyethylene units were prepared by condensation polymerization of suitable diamines and diesters, both of which containing oxyethylene units. The polymer structure was determined by IR and 1H NMR spectroscopy. Almost all polymers are crystals melting at ≈ 40°C and show a complexation ability towards alkalimetal cations. It was also found that diesters containing oxyethylene units show a higher condensation rate than alkylene diesters, which is explained by an inductive effect of the ether oxygene. However, no remarkable difference in the condensation rate was found between diamines containing oxyethylene units and the corresponding al…

Effects of metal–ligand coordination on the self-assembly behaviour of a crown ether functionalised perylenetetracarboxylic diimide

2012

A novel perylenetetracarboxylic diimide (PDI) derivative, N,N′-di(4′-benzo-15-crown-5-ether)-1,7-di(4-tert-butyl-phenoxy)perylene-3,4;9,10-tetracarboxylic diimide (CRPDI), has been synthesised and characterised. Dimerisation of CRPDI is induced by the presence of K+ in CHCl3 or spontaneously occurs in methanol, as revealed by absorption and emission spectroscopy. In particular, the formation of co-facial dimer in the presence of K+ proceeds in a three-stage process, as indicated by absorption spectroscopy. The belt- and rope-like nanostructures of CRPDI fabricated from methanol and CHCl3 solution in the presence of K+ are obtained by scanning electron microscopy. Furthermore, the conductivi…