Search results for "conformation"

Vibrational spectroscopy of trans and cis deuterated formic acid (HCOOD): Anharmonic calculations and experiments in argon and neon matrices

2010

The absorption spectra of trans and cis conformers of deuterated formic acid (HCOOD) isolated in argon and neon matrices are analyzed in the mid-infrared and near-infrared spectral regions (7900–450 cm � 1 ). Vibrational excitation by narrow-band IR radiation is used to convert the lower-energy trans conformer to the higher-energy cis form. A large number of overtone and combination bands are identified. The results of anharmonic vibrational calculations (CC-VSCF) for both conformers are reported and compared to the experimental spectra.

Magnetic Properties of Quinoidal Oligothiophenes: More Than Good Candidates for Ambipolar Organic Semiconductors?

2006

A series of quinoidal oligothiophenes have been investigated by means of solid-state Fourier-transform (FT)-Raman and electron spin resonance (ESR) spectroscopies complemented with density functional theory calculations. FT-Raman spectra recorded as a function of temperature show that, upon laser irradiation, the molecules undergo a reversible structural evolution from a quinoid-type pattern at low temperature to an aromatic-type pattern at high temperature. Moreover, ESR spectra show that a portion of these compounds exists in a biradical state at room temperature. These seemingly disconnected findings and others, such as conformational isomerism, are consistently explained by the consider…

Drug release from alpha,beta-poly(N-2-hydroxyethyl)-DL-aspartamide-based microparticles.

2004

Abstract Spherical pH-sensitive microparticles have been prepared by reverse phase suspension polymerization technique. Starting polymer has been α , β -poly( N -2-hydroxyethyl)- dl -aspartamide (PHEA) partially derivatized with glycidylmethacrylate (GMA). PHEA-GMA copolymer (PHG) has been crosslinked in the presence of acrylic acid (AA) or methacrylic acid (MA) at various concentration. The obtained microparticles have been characterized by FT-IR spectrophotometry, particle size distribution analysis and scanning electron microscopy. In order to have information about water affinity of the prepared samples, swelling measurements have been carried out in aqueous media which simulate some bi…

Electrochemically induced free solvent transfer in thin poly(3,4-ethylenedioxythiophene) films

2015

International audience; In dynamic intrinsically conducting films, counterions transfer and conformational movements stimulated by the electrochemical reactions affect the free water molecules transfer. Poly(3,4-ethylenedioxythiophene) or PEDOT is included in this category. Here, p-doping of PEDOT immersed in LiClO4 aqueous solution was explored by ac-electrogravimetry. Electrochemical impedance spectroscopy combined with mass impedance spectroscopy proves useful for species identification and kinetics. For PEDOT, new equations have been developed to analyze the ac -electrogravimetry response. Quantitatively, faster free water transfer and slower coupled View the MathML sourceClO4−/free wat…

Polymorph acceptor-based triads with photoinduced TADF for UV sensing

2021

Abstract In contrast to many donor–acceptor type organic luminophores exhibiting thermally activated delayed fluorescence (TADF), two deep blue TADF emitters designed in this work contain only typical electron accepting moieties with different electron accepting abilities. Derivatives of benzophenone and diphenylsulfone substituted with phenothiazine-5,5-dioxide donor moieties were synthesized and studied. In addition to the TADF, green to blue emission color switching and strong fluorescence intensity enhancement by more than 60 times was detected for THF solution of the derivative of phenothiazine-5,5-dioxide and benzophenone under increase of UV excitation dose. We proved by a variety of…

Loose crystals engineered by mismatched halogen bonds in hexachloroethane

2018

Distortions of the directional requirements in halogen⋯halogen contacts between hexachloroethane (HCE), C2Cl6, molecules lead to a loose crystal under ambient conditions. Single-crystal X-ray diffraction shows that the orthorhombic HCE phase of space group Pnma, with the molecules in the staggered conformation, extends at least from 85 to 305 K and from 0.1 MPa to 5.42 GPa. At ambient pressure, all intermolecular distances are longer than the sum of van der Waals radii, reached only at the pressure of ca. 1.2 GPa.

Influence of the Number of Nanoparticles on the Enhancement Properties of Surface-Enhanced Raman Scattering Active Area: Sensitivity versus Repeatabi…

2011

In the present work, the combination of chemical immobilization with electron beam lithography enables the production of sensitive and reproducible SERS-active areas composed of stochastic arrangements of gold nanoparticles. The number of nanoparticles was varied from 2 to 500. Thereby a systematic analysis of these SERS-active areas allows us to study SERS efficiency as a function of the number of nanoparticles. We found that the experimental parameters are critical, in particular the size of the SERS-active area must be comparable to the effective area of excitation to obtained reproducible SERS measurements. The sensitivity has also been studied by deducing the number of NPs that generat…

Quantum dot-block copolymer hybrids with improved properties and their application to quantum dot light-emitting devices.

2009

To combine the optical properties of CdSe@ZnS quantum dots (QDs) with the electrical properties of semiconducting polymers, we prepared QD/polymer hybrids by grafting a block copolymer (BCP) containing thiol-anchoring moieties (poly(para-methyl triphenylamine-b-cysteamine acrylamide)) onto the surfaces of QDs through the ligand exchange procedure. The prepared QD/polymer hybrids possess improved processability such as enhanced solubility in various organic solvents as well as the film formation properties along with the improved colloidal stability derived from the grafted polymer shells. We also demonstrated light-emitting diodes based on QD/polymer hybrids, exhibiting the improved device …

Double-stranded RNA polyinosinic-polycytidylic acid immobilized onto gamma-Fe2O3 nanoparticles by using a multifunctional polymeric linker.

2007

Comparative evaluation of the swelling and degrees of cross-linking in three organic gel packings for SEC through some geometric parameters.

2003

Abstract The size exclusion chromatographic (SEC) behavior of five solvent/polymer systems in three organic column packings based on polystyrene/divinylbenzene (PS/DVB) copolymer, TSK-Gel H HR , μ-styragel and TSK-Gel H XL , has been compared. All the packings offer similar characteristics (pore size, particle size and efficiency) but some differences have been found when eluting the same systems. The different elution behavior observed in both polymeric gels has been analyzed in terms of their swelling and cross-linking degrees and of the fractal parameters. From the Universal Calibration plots, values of the chromatographic partition coefficient, K p , have been obtained and using some eq…