Materials Literature
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Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
I don't like what I am: An example of ring-size change in tetrapyrroles is found in the ring expansion of corroles to porphyrins (see scheme). These and other recently discovered relationships between tetrapyrrole structures offer the possibility of rapid autoconversion of such macrocycles.
Self-immolative dendrimers disassemble through a domino-like chain fragmentation initiated by a single cleavage at the dendrimer core. We have designed and synthesized dendritic molecules that resemble dendritic architectures present in nature. The unique design allows a cleavage signal received by any one of the mult…
The molecular recognition properties of the hydrogen bonding segments in biodegradable thermoplastic elastomers were explored, aiming at the further functionalization of these potentially interesting biomaterials. A poly(epsilon-caprolactone)-based poly(urea) 2 was synthesized and characterized in terms of mechanical…
Multiscale modeling of a polymeric system is a challenging task in polymer physics. Here we introduce a bottom-up and then top-down scheme for the simulation of polyethylene (PE). The coarse-grained numerical potential for PE is derived through an automatic updating program by mapping its radial distribution function…
A nonconjugated methacrylate copolymer (PCzOxEu) containing carbazole moieties (electron donors), 1,3,4-oxadiazole moieties (electron acceptors), and europium complexes in the pendant groups was synthesized via free radical copolymerization of methacrylate monomers containing the respective functional groups. The mole…
We study the size of polyelectrolyte multilayer capsules as a function of ionic strength, temperature, and time. A dynamic micromechanical model is developed which successfully describes the experiments. The model includes the polymer-solvent surface tension, an electrostatic force which is strongly ionic strength dep…
The phonon dispersion of an isolated linear chain of carbon atoms is studied by density functional theory. It is shown that the longitudinal optical phonon at the $\ensuremath{\Gamma}$ point is affected by Kohn anomaly. Moreover the slope of this phonon branch is modulated by the degree of bond length alternation of t…
The optical dielectric functions for single-crystal ${\mathrm{KTaO}}_{3}$ are determined using spectroscopic ellipsometry and optical transmission techniques. These results show that the lowest band gap is $3.64\phantom{\rule{0.3em}{0ex}}\mathrm{eV}$ $(341\phantom{\rule{0.3em}{0ex}}\mathrm{nm})$ with very low absorpti…
Monolayer N-propylaniline functionalized mesoporous silica SBA-15 (MFMS) has been successfully used for the grafting of polyaniline moieties through in-situ polymerization in the presence of ammonium peroxodisulfate (APS) as oxidant. For comparison, siliceous SBA-15 has been used to prepare non-grafted polyaniline (PA…
Abstract W 18 O 49 nanowires were synthesized by a high‐temperature physical evaporation technique. The structure, morphology, and composition of the nanowires were characterized by SEM, EMPA, XRD, XPS, and HRTEM techniques. The intrinsic Raman spectrum of W 18 O 49 nanowires was obtained, and the effect of laser powe…
Room-temperature Raman scattering has been measured in barium tungstate $(\mathrm{Ba}\mathrm{W}{\mathrm{O}}_{4})$ up to $16\phantom{\rule{0.3em}{0ex}}\mathrm{GPa}$. We report the pressure dependence of all the Raman active first-order phonons of the tetragonal scheelite phase ($\mathrm{Ba}\mathrm{W}{\mathrm{O}}_{4}\te…
A new polydentate tripodal ligand T2soxMe was synthesized to take advantage of the chelating effect of tridentate 8-hydroxyquinolinate subunits. Potentiometric and spectrophotometric titrations reveal seven pK(a) values of between 3.7 and 10.2. In water, the use of T2soxMe leads to thermodynamically stable and soluble…
A new critical behavior in unconventional superconductors and superfluids is established and described by the Wilson-Fisher renormalization-group method. For certain symmetries of order a new type of fluctuation-driven first order phase transitions at finite and zero temperature are predicted. The results can be appli…
The magneto-optical spectra of NiMnSb were calculated in the framework of the local spin density approximation (LSDA) combined with dynamical mean-field theory (DMFT). Comparing with results based on the plain LSDA, the additional account of many-body correlations via DMFT results in a noticeably improved agreement of…
How aryl groups attach to a graphene sheet is an experimentally unanswered question. Using first principles density functional theory methods, we shed light on this problem. For the basal plane, isolated phenyl groups are predicted to be weakly bonded to the graphene sheet, even though a new single C-C bond is formed…
We demonstrate novel methods for the study of multiple exciton generation from a single photon absorption event (carrier multiplication) in semiconductor nanocrystals (or nanocrystal quantum dots) that are complementary to our previously reported transient absorption method. By monitoring the time dependence of photol…
The diffraction image of a quasicrystal admits a finite group G as a symmetry group, and the quasicrystal can be regarded as a quasiperiodic packing of copies of a G-cluster C, joined by glue atoms. The physical space E containing C can be embedded into a higher-dimensional space R^k such that, up to an inflation fact…
In this article we present a method to compute the scattering states of holes in spherical bands in the strong spin-orbit coupling regime. More precisely, we calculate scattering phase shifts and amplitudes of holes induced by defects in a semiconductor crystal. We follow a previous work done on this topic by Ralph [H…
The thermodynamical stability of ${\rm Al(BH_4)_3}$ has been investigated using first-principles calculations based on density functional theory. The heats of formation are obtained to be -132 and $-131 {\rm kJ/mol}$ without the zero-point energy corrections for $α$- and $β$-${\rm Al(BH_4)_3}$, respectively, which are…