A symmetry-adapted force-constant lattice-dynamical model for single-walled carbon nanotubes

We develop a lattice-dynamical model based on the screw symmetry of single-walled carbon nanotubes that allows for reducing the size of the dynamical matrix to six, for all tube chiralities. The model uses force constants derived from fitting to the phonon dispersion of 2D graphite. We present the calculation procedure in a clear and transparent way, making the model easier to follow. We calculate the phonon dispersions of a number of nanotubes of different chiralities. The splitting of two highest Raman active modes and the radial breathing mode frequency are studied by changing the tube diameter and chirality.     

On the law of corresponding states for thermodynamic properties of a crystal

To study thermodynamic similarity of the properties of crystalline substances, we propose an approach connected with engaging of the metastable state region. Internal pressure and specific volume on the crystal’s stability boundary at T = 0 K are used as characteristic scales of thermodynamic variables. A semiempirical method of calculation of the stability boundary by the thermodynamic data related to the stable states region of a solid body is described. In the cases of argon and natrium, the stability boundary is calculated for a wide range of temperatures and pressures. Analysis of the properties of neon, argon, krypton, and xenon crystals in these variables indicates that the law of corresponding states holds for these substances.     

Low-temperature reaction of magnesium with fluorobenzene

The low-temperature reaction of magnesium with fluorobenzene has been investigated. Joint condensation of magnesium and fluorobenzene vapours at low temperatures quantitatively gave phenylmagnesium fluoride in one stage.     

Quantification of stable minor species in confined flames by cavity ring-down spectroscopy: application to NO

Cavity ring-down spectroscopy (CRDS) is used to measure the NO mole fraction formed in the burnt gases of low-pressure premixed flames. It is shown that the line-of-sight absorption is greatly increased by the contribution of the NO molecules surrounding the burner. This contribution has been quantified by developing a mathematical procedure taking into account the spatial and spectral features of the CRDS measurement. Calculations have been undertaken in the general case of a stable species not consumed in the flame. The most sensitive parameter is the temperature both in the flame and outside the flame. Simulations allow the selection of the best spectroscopic transitions for a given flame (i.e. a given temperature profile), ensuring the weakest influence of the inaccuracy affecting the temperature determination. High quantum states belonging to the A–X (0–1) band of NO have been found to be the most valuable and have led to a NO mole fraction determination with an accuracy of ±13%. NO absorption in the flame was completely masked using the A–X (0–0) band. Finally, the prompt-NO mole fraction formed in a methane/air flame stabilized at 33 Torr is obtained by combining CRDS and laser induced fluorescence techniques. Received: 12 October / Revised version: 1 February 2002 / Published online: 14 March 2002     

Deuterium NMR studies of inositol liquid crystals [1]

Deuterium NMR investigations are presented on members of two new mesogenic series derived from the naturally occurring stereoisomers myo- and scW/o-inositol. Tetraethers of these two series exhibit thermotropic columnar phases in which the columns are apparently formed by stacked hydrogen bonded dimers of these molecules which chemically are vicinal diols. Deuterium NMR measurements were performed on the tetraoctyl homologues 2e (a cis diol) and 3e (a trans diol) of these series. We have investigated mixtures of these diols with small amounts of benzene-d₆ as probe molecules as well as samples of the neat diol compounds deuteriated at their hydroxyl groups. The results obtained show that the mesophases of both compounds are uniaxial and align partially in a magnetic field upon slow cooling from their isotropic liquids. The alignment is with the director parallel to the field direction indicating that the anisotropic magnetic susceptibility of this mesophase is positive. The deuterium quadrupole splitting of the benzene-d₆ probe in both systems is temperature dependent and in the trans diol 3e it even changes sign. This is interpreted in terms of a model in which the benzene-d₆ probe equilibrates rapidly between two (or more) solvation sites with quadrupole splittings of opposite signs The deuterium spectra of the neat deuterium labelled cis diol 2e exhibit two different signals due to the two deuterons which are located at the axial and equatorial hydroxyl groups. This indicates that there is no fast intra- or intermolecular exchange of the hydroxyl hydrogens. The overall quadrupole splittings of the hydroxyl deuterons in this compound are highly reduced compared to their static values and this is interpreted in terms of motional modes involving both reorientation of the hydroxyl deuterons about their C-O axis and overall reorientation of the molecules (or pairs of molecules) around the columnar axes. The corresponding spectra of the neat deuteriated trans diol 3e exhibit a single spectrum indicating that both hydroxyl deuterons in this compound are equivalent, or very nearly so. Within the mesophase region the spectrum undergoes gradual changes due to the increase in the molecular mobility, but the overall motional narrowing is less than in the cis isomer 2e. Apparently due to stronger hydrogen bonding in the trans isomer 3e the precession of the hydroxyl groups is hindered and a fast molecular reorientation is only possible at high temperatures.     

Dynamics of a pair of coupled nonlinear oscillators

A pair of coupled classical oscillators with a general potential and general form of coupling is investigated. For general potentials, the single-frequency solution is shown to be stable for small excitations. For special potentials, such system remains stable for an arbitrary excitation. In both cases, the stability does not depend on the form of coupling. Transition to the instability regime follows from the way how nonlinear potential entrains the energy transfer between the oscillators. Relation between the existence of multi-frequency quasi-periodic or periodic solutions and the instability of single-frequency ones is discussed.     

Analogy of thermogravimetric measurements

Dimensionless number has been developed and introduced for quantitative analysis of the effect of thermogravimetric measuring factors like sample quantity, heating rate, etc. The TG, DTG and T data of different thermogravimetric measurements can be used directly for calculation of the three constants of analogy. TG data of CaCO₃ measured in very different conditions show the method of transformation and its applicability for calculation of the correlation of measurements.