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See detailStructural analysis of some bis-(8-isopropyl-isoquinolinium) derivatives reveals a preferential folded conformation leading to a stereoselective attack by sodium borohydride
Dilly, Sébastien ULg; Badarau, Eduard; Dufour, Fabien et al

in Journal of Molecular Structure (2014)

Reduction of symmetrical bis-isoquinolinium derivatives with sodium borohydride generates normally a mixture of three 1,2,3,4-tetrahydroisoquinoline stereoisomers. In a series of 8- isopropyl analogues ... [more ▼]

Reduction of symmetrical bis-isoquinolinium derivatives with sodium borohydride generates normally a mixture of three 1,2,3,4-tetrahydroisoquinoline stereoisomers. In a series of 8- isopropyl analogues, chiral resolution failed for the analogues with propyl and m-xylyl linkers since two and one peaks respectively were detected by HPLC. Further analysis by MS and CD of both peaks of the propyl analogue revealed that each peak corresponds to an enantiomer. Conformational analysis and X-ray cristallography showed a folded conformation of the propyl and m-xylyl analogues responsible for the observed stereoselectivity following the reduction step. Additional 1H NMR investigations confirm structural features detected by theoretical analysis. [less ▲]

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See detailSynthesis, characterization and photocatalytic properties of alkali metals doped tin dioxide
Benhebal, Hadj; Chaib, Messaoud; Léonard, Angélique ULg et al

in Journal of Molecular Structure (2011), 1004(1-3), 222-226

In order to improve the photocatalytic properties of tin dioxide, crystallized powders of SnO(2) photocatalysts doped by alkali metals (Li, Na and K) were synthesized by sol-gel process. The physical ... [more ▼]

In order to improve the photocatalytic properties of tin dioxide, crystallized powders of SnO(2) photocatalysts doped by alkali metals (Li, Na and K) were synthesized by sol-gel process. The physical properties of these materials were characterized by X-ray diffraction, nitrogen adsorption-desorption, Scanning electron microscopy and Ultraviolet-visible diffuse reflection spectroscopy. The photocatalytic tests under UV radiation conducted on four aromatic compounds (phenol, paranitrophenol, pentachlorophenol and benzoic acid) showed that tin dioxide modified by sodium possesses good photocatalytic activity; The Li-doped SnO(2) is moderately active, while modification by potassium does not improve this activity. (C) 2011 Elsevier B.V. All rights reserved. [less ▲]

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See detailNMR and X-ray diffraction analysis of 3-thioamido-5- phosphono-1-cyclohexene derivatives: Conformational and stereochemical assignments
Monbaliu, Jean-Christophe ULg; Tinant, Bernard; Marchand-Brynaert, Jacqueline

in Journal of Molecular Structure (2008)

[4 + 2] Cycloaddition; ; Vinyl phosphonate dienophiles; ; Cyclohexene conformations; NMR analysis; X-ray diffraction

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See detailNovel functionalized oligo-vinylthiophene molecules with modulated second-order nonlinear optical response
dos Santos, D. A.; Kogej, T.; Brédas, Jean-Luc et al

in Journal of Molecular Structure (2000), 521

We present a joint theoretical and experimental investigation of the second-order nonlinear optical properties of a new kind of active molecule with a triblock structure. The molecular architecture is ... [more ▼]

We present a joint theoretical and experimental investigation of the second-order nonlinear optical properties of a new kind of active molecule with a triblock structure. The molecular architecture is such that two highly polarizable conjugated segments are separated from each other by a spacer; one of the conjugated segments is end-capped with an electron-donor group, the other one by an acceptor. E-vinylthiophenes are used as the conjugated segments; N,N-dimethylaniline and nitrophenyl are selected as the donor-acceptor pairs, while the spacer consists of a nonconjugated moiety. Several spacers are considered and discussed with respect to their ability to modulate the charge transfer between the donor and acceptor ends. [less ▲]

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See detailSAXS analysis of the morphology of biocompatible and biodegradable poly(ε-caprolactone-b-glycolide) copolymers1
Sobry, R.; Van den Bossche, Guy ULg; Fontaine, F. et al

in Journal of Molecular Structure (1996), 383(1-3), 63-68

Poly(epsilon-caprolacrone-b-glycolide) diblock copolyesters have been synthesized by the sequential polymerization of epsilon-caprolactone and glycolide as initiated by aluminium alkoxides ... [more ▼]

Poly(epsilon-caprolacrone-b-glycolide) diblock copolyesters have been synthesized by the sequential polymerization of epsilon-caprolactone and glycolide as initiated by aluminium alkoxides. Copolymerization is typically ''living'' and yields copolyesters of perfectly controlled molecular weight and composition. Diblock molecular weight (Mn-PGA+Mn-PCL) ranges from 5700 to 42000 and the rho = Mn-PCL/Mn-PGA ratio varies from 1.5 to 13.1. Due to the inherent insolubility of the polyglycolide (PGA) segment in common organic solvent, the diblock copolyesters form stable non-aqueous colloidal dispersions e.g. in toluene, the stability of which results from the soluble poly(epsilon-caprolactone) (PCL) block. Combining all the experimental observations (PCS, TEM, WAXS, SAXS, AFM), a micelle model has been proposed which consists of a polyglycolide core surrounded with a corona of polycaprolactone (PCL). Both constituents are semi crystalline. From SAXS observations, the PGA core is better described by two concentric spheres. The internal sphere of a 5-6.7 nn diameter would essentially contain crystalline PGA. The diameter of the external sphere, D-PGA, is in the range from 6.2 to 9.6 nm, at least for the investigated diblock copolymers. As a rule, this diameter increases as rho decreases at constant molecular weight and as the diblock molecular weight increases at constant rho. A scattering peak (weak) is observed in the range from 10.8 to 15.5 nm and the Bragg distance is close mu D-PGA, where mu is equal to (1+3 rho/2)(1/3). From steric considerations, mu is the ratio between the diameter of the micelle and the diameter of the PGA core, so that this peak has been assigned to the characteristic intermicellar distance. At very small angles, several additional peaks are the signature of a hyperstructure which is possibly lamellar. [less ▲]

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See detailAb Initio Calculation of Static Electric Polarizability of Infinite Polymer Chains
Barbier, Christian ULg; Delhalle, J.; André, J. M.

in Journal of Molecular Structure (1989), 188

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