NMR phase noise in bitter magnets

We have studied the temporal instability of a high field resistive Bitter magnet through nuclear magnetic resonance (NMR). This instability leads to transverse spin decoherence in repeated and accumulated NMR experiments as is normally performed during signal averaging. We demonstrate this effect via Hahn echo and Carr--Purcell--Meiboom--Gill (CPMG) transverse relaxation experiments in a 23-T resistive magnet. Quantitative analysis was found to be consistent with separate measurements of the magnetic field frequency fluctuation spectrum, as well as with independent NMR experiments performed in a magnetic field with a controlled instability. Finally, the CPMG sequence with short pulse delays is shown to be successful in recovering the intrinsic spin--spin relaxation even in the presence of magnetic field temporal instability.     

27Al field-swept and frequency-stepped NMR for sites with large quadrupole coupling constants

Spectra of nonspinning samples with large quadrupole coupling constants, 16-32 MHz, are acquired by frequency-stepping. A series of spin-echoes are acquired at arbitrary frequency increments, frequency-shifted in the time domain, and co-added as magnitude spectra. This procedure is derived from a method in use for field-swept NMR. The two methods are compared.     

N‐(Tri­phenyl­methyl­sulfanyl)­phthal­imide

The title compound, C₂₇H₁₉NO₂S, contains chains of fused (19) rings formed by intermolecular C—H·O=C hydrogen bonds and running along the [011] and [01] directions. These chains are linked through short intermol­ecular C—H·π contacts, giving rise to sheets. The conformation of the title compound is dominated primarily by the nearly orthogonal lone‐pair orbitals on the N and S atoms.     

Involutive Brauer groups of a Krull domain

In this text, we introduce and study involutive class groups and Brauer groups of a Krull domain R. We derive some exact sequences, connecting these groups and linking them to classical invariants, thus allowing to calculate them in concrete situations. We provide a geometric interpretation in terms of etale cohomology with respect to the sheaf of square roots of unity on Spec(R), as another useful tool to calculate these invariants.     

On the solutions of the Moisil–Théodoresco system

A structure theorem is proved for the solutions to the Moisil–Théodoresco system in open subsets of ?³. Furthermore, it is shown that the Cauchy transform maps L₂(?², ?_{0, 2}⁺) isomorphically onto H²(?₊³, ?_{0, 3}⁺), thus proving an elegant generalization to ?² of the classical notion of an analytic signal on the real line. Copyright © 2008 John Wiley & Sons, Ltd.     

Fourier transform Raman and DFT study of three annulated oligothiophenes with different molecular shapes.

Herein, we study the conjugation properties of three different thienoacenes, each of which has three or four fused thiophene rings, by means of Fourier transform Raman spectroscopy. The B3LYP/6-31G** vibrational analysis of all of the collected spectroscopic data evidences that the selective enhancement of a limited number of Raman scatterings is related to the occurrence in the three thienoacenes of a vibronic coupling between the lowest unoccupied frontier molecular orbital (LUMO) and some Raman-active skeletal nu(C==C) stretching modes of 1600-1300 cm(-1).     

Density functional study on electronic structures and reactivity in methyl‐substituted chelates used in organic light‐emitting diodes

The electronic structure and reactivity trends of a set of tris‐(n‐methyl‐8‐quinolinolato) metal (III) (n = 0, 3, 4, 5; metal = Al⁺³, Ga⁺³) used as electron‐transport layer in organic light‐emitting diodes were studied and compared. All geometries were optimized at B3LYP/6‐31G(d,p) level of theory. The geometries of the ground state (S₀) of unsubstituted molecules AlQ3 and GaQ3 were found to be slightly affected by the methyl group, which is in agreement with previous works. Methyl‐derivatives conserve largely the electronic structures of AlQ3 and GaQ3. The energies of the frontier orbitals highest occupied and lowest unoccupied molecular orbital are raised by the electron‐releasing effect of methyl group. Molecular orbital contribution analysis reveals that the orbital population is essentially the same for both MQ3 and their derivatives. Analyses of the ionization potential and electron affinity showed that MQ3 tend to be better hole‐blockers than methylated analogues and 5Me‐MQ3 have higher hole‐injection capability than the other methyl‐substituted derivatives. The global reactivity analysis showed that the electrophilicity index can be an indicator of electron‐injection capability in these complexes. Local reactivity analysis showed that atomic sites that are prone to nucleophilic/electrophilic attack are atoms C‐4 in L3/C‐5 in L1. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010     

Metabolic probes for imaging endosymbiotic bacteria within toxic dinoflagellates

Fluorescence microscopy offers an important tool for the study of complex biological phenomena such as symbiosis. Here we identify a strategy that adapts the unique differences between the secondary metabolism in host and guest symbiotic species to selectively image endosymbiotic organisms. The method is demonstrated by application to the complex symbiotic relationships in toxic marine dinoflagellates.     

Spin-density wave near the vortex cores in the high-temperature superconductor Bi2Sr2CaCu2O8+y

Competition with magnetism is at the heart of high-temperature superconductivity, most intensely felt near a vortex core. To investigate vortex magnetism we have developed a spatially resolved probe based upon NMR spin-lattice-relaxation spectroscopy. With this approach we have found a spin-density wave associated with the vortex core in Bi(2)Sr(2)CaCu(2)O(8+y), similar to checkerboard patterns in the local density of electronic states reported from scanning tunneling microscope experiments. We have determined both the spin-modulation amplitude and decay length from the vortex core in fields up to H=30 T.     

Synthesis and conformational analysis of azacyclophanes from l-tyrosine

The synthesis of a new azacyclophane formed by two l-tyrosine units joined by two methylene bridges is presented. The structural and conformational characteristics are briefly discussed. Spectroscopic and theoretical data reveal a syn structure with two intramolecular hydrogen bonds.