Search results for " diffraction"

Enzyme-Responsive Controlled Release Using Mesoporous Silica Supports Capped with Lactose

2009

2-Acylamino- and 2,4-bis(acylamino)pyrimidines as supramolecular synthons analysed by multiple non-covalent interactions. DFT, X-ray diffraction, and…

2012

Intermolecular interactions of ten 2-acylamino and 2,4-bis(acylamino)pyrimidines (7 of which are previously unknown) have been investigated by X-ray structural, quantum chemical (DFT), and NMR spectral methods. Especially the concentration dependencies of the (1)H NMR chemical shifts and titrations with other molecules capable of multiple hydrogen bonding provided useful information regarding their association via triple or quadruple hydrogen bonding, which is controlled by the conformational preferences of 2-acylamino- and 2,4-bis(acylamino)pyrimidines. On comparison of the properties of 2-acylamino- and 2,4-bis(acylamino)pyrimidines with the corresponding pyridines, an additional nitrogen…

Laponite clay in homopolymer and tri-block copolymer matrices

2007

Macromolecule/laponite nanomaterials were studied by DSC and X-ray diffraction techniques. The matrices are poly(ethylene) glycols at various molecular masses and poly(ethylene oxides)-poly(propylene oxides)-poly(ethylene oxides) tri-block copolymers. The latter were tuned by modulating the molecular masses, at constant hydrophilic/hydrophobic ratio, and the hydrophilicity. For all the investigated systems, the enthalpy of melting (ΔH m) is nearly constant up to a given composition thereafter it increases monotonically reaching the value of the pure macromolecule. We proposed a model to interpret the DSC data. Briefly, it was invoked a mechanism of interaction following which some segments …

Phase identification of triphenylene-based discotic monomer and its main chain polymers

1998

Abstract A monomer, 2,3,6,7,10,11-hexakispentyloxy triphenylene (HPT) possesses a triphenylene core as a discotic mesogen. Polymers containing this discotic mesogen have been studied using wide-angle X-ray and electron diffraction. HPT is known to show a discotic liquid crystal phase, noted as Dho (h for hexagonal bidimensional lattice, o for ordered molecular spacing in each column). In this paper, however, HPT liquid crystalline phases, heated up from the crystalline state and cooled down from the isotropic state, were characterized in the diameter dimensions. In addition. the diameters of the columns are close to a parameter of two separate crystals. A core orientation was, therefore, pr…

Determination of the conformation of polymers in the amorphous solid state and in concentrated solution by neutron diffraction

1975

Abstract From the coherent neutron scattering on dilute solid solutions of the ordinary polymer within the deuterated polymer, conformation parameters of polymer chains in amorphous solid states can be determined. In this way vitreous poly(methyl methacrylate) (PMMA) has been investigated. The chains form unperturbed coils and the radius of gyration is very near to the corresponding value in dilute solutions of the same polymer in the low molecular θ-solvent butyl chloride. The same principle of measurement has been applied to concentrated solutions of PMMA in D-acetone. The solutions contained 50% polymer, the main part of which (98% and more) was deuterated so that the system was opticall…

Phases and phase transitions of (NaCl)1?x(NaCN)x

1985

(NaCl)1−x(NaCN)x mixed crystals with CN-concentrationsx of 0.87, 0.76, 0.71 and 0.65 have been investigated by X-ray powder diffraction. Apart from the cubic room temperature phase, a rhombohedral and an orthorhombic phase have been identified. In addition a glass state has been observed which is characterized by a strong broadening of the cubic powder lines. The phase diagram shows a wide coexistence gap between the non-cubic phases and the glass state.

Phases and phase transitions in the mixed molecular system (NaCN)1x(KCN)x

1990

The phase diagram of (NaCN)1−x(KCN)x was examined by neutron powder diffraction in the temperature range 5K ≦T≦300 K. Several non-cubic low-temperature phases were identified for concentrationsx<xc1=0.15 andx≧xc2=0.89. Lattice parameters and ferroelastic deformations were determined from the observed powder patterns. The phase transformations were characterized following the temperature dependence of the appropriate order parameters.

1996

The major new developments in electron crystallography and high resolution imaging of organic molecules are discussed. The aim is to show that the recent rapid advances in computer technology have made it possible to analyze molecules at a level or resolution which was impossible less than a decade ago, thus bringing the concept of molecular design to produce specific physical properties much nearer to realization

Electron crystallography and organic materials with non-linear optical properties

1999

Results of electron microscopic studies of crystal structures of a number of bis-benzylidene cyclohexanones are presented. It is shown that some of these compounds are efficient crystalline non-linear optically active (NLO) chromophores with second harmonic generation (SHG) properties. Appropriately functionalized chromophores of this type can be used as a polycondensation comonomer to produce partly crystalline main-chain NLO-active polymers. Electron diffraction crystal structural data, obtained for very small crystals, allowed us to get reasonable estimations of macroscopic crystal NLO-coefficients, relating quantum-chemically calculated molecular first hyperpolarizability components to …

A Mixed-Ligand Approach for Spin-Crossover Modulation in a Linear FeII Coordination Polymer

2014

In this work, we present a family of Fe(II) coordination polymers of general formula [Fe(btzx)(3-3x)(btix)(3x)](ClO4)2 with interesting spin-crossover properties. These coordination polymers have been synthesized using chemical mixtures of two different but closely related ligands, 1,4-bis(tetrazol-1-ylmethyl)benzene (btzx) and 1,4-bis(triazol-1-ylmethyl)benzene (btix), and the effect of a gradual substitution of the ligand in the spin transition temperature has been investigated. Several chemical mixtures have been structurally characterized by X-ray powder diffraction indicating a clear critical amount in the composition of the mixture after which mixed phases rather than a single phase c…