A study of the spin lattice relaxation (T1) and the nuclear quadrupole resonance frequency (νQ) gives an important information about the dynamics of molecular groups in molecular solids. In the present paper, we analyze the contributions of the reorientational motion of nitro groups of 2,4-dinitrochlorobenzene to the NQR parameters of the chlorine nucleus in the molecule.
We found two contributions to T1 and νQ due to the onset of the reorientation of nitro groups in the molecule; one of these contributions is mostly due to intermolecular effects in the crystal. For the chlorine nuclei, the efficiency of the modulation mechanism is usually provided by the change of the electric field gradient due to the moving molecular group; this gives us a way of how to assign each contribution to T1 from the ortho and para positions of the NO2 groups in the molecule. It is observed that there are two different potential barriers depending on the position of the nitro groups in the molecule. The behavior in the temperature dependence of the line width shows a thermal history dependence of the molecular crystal. 相似文献
Both single crystals of VCl3(THF)3 as well as isotypic cocrystals of the composition MCl3(THF)3, M=Ti/V 1/3, undergo a topotactic reversible phase transition to a hitherto unknown low-temperature modification. The close relationship between this new structure and the room-temperature phase determined by Cottonet al. is discussed from the molecular and the intermolecular point of view: Both modifications are built up by conformationally very similar molecules which change their arrangement during the phase transition. Lattice energy calculations confirm that these two alternative arrangements correspond to minima of almost the same packing energy.Dedicated to Professor Dr. G. E. Herberich on the occasion of his 60th birthday. 相似文献
Summary On the basis of high-resolution and time-resolved fluorescence spectra, a model is proposed for the interpretation of the fluorescence lines originating from various perturbed NO
2–
centers situated in the neighbourhood of the K+ ion of the NaNO2:KNO2 crystal. Since their excited state energies are lower than that of the host, these perturbed NO
2–
ions act as traps for the host singlet exciton. On the assumption that the perturbation giving rise to those traps results from an interaction of the impurity ion K+ with its nearest neighbours, the observed position of the energy levels of the various traps can be reconciled with crystal field calculations. 相似文献
The structural analysis of the hexagonal InN film prepared on a Si(100) substrate by the AP-HCVD technique using InCl3 and NH3 as starting materials were carried out by the X-ray pole figure analysis. The deposited films consist of the hexagonal InN pillar crystals. It was found that the pillar crystals, which have random rotation around the 100 axis, were grown at an angle of 70–90° to the substrate. 相似文献
ABSTRACT Novel liquid crystalline Janus dendrimers that combine a mesogenic block and an electroactive block have been synthesised. The mesogenic block is based on two third-generation Percec-type dendrons bearing six or eight terminal dodecyloxy alkyl chains, whereas the electroactive blocks are formed by one or two carbazole units. The liquid crystal behaviour was investigated by polarised-light optical microscopy, differential scanning microscopy and X-ray diffraction. The Janus dendrimers with one electroactive unit exhibited cubic or columnar liquid crystal phases, whereas the Janus dendrimers with two electroactive units did not show liquid crystalline behaviour. The UV-vis absorption and emission properties of the Janus dendrimers were investigated. The spectra suggested the existence of π-π stacking and the formation of aggregates in the solid state. Electrodeposition of the carbazole-containing dendrimers afforded semi-globular particles in which the number of electropolymerizable units and the flexible or rigid character of the linker have a decisive influence in the particle size. 相似文献
We prove theH-stability property and the existence of the thermodynamic limit of the free energy density of the two-dimensional, one-component classical plasma. We give lower and upper bounds on the free energy density in any dimensionv and draw some consequences. 相似文献