Advances in Molecular Relaxation Processes最新文献

The additivity of the effect of hydrogen bonding has been studied by ab initio calculations for two 1:2 formamide-water complexes, one where the formam

The NMR method has been used to study complexes of Cu²⁺ with glycine in aqueous solution. In particular, the line-width of the proton resonance of

This review deals with experimental and theoretical aspects of acoustic superradiance, and also spontaneous coherent radiation of elastic multipoles. B

Peculiarities of sound superradiation excited by pulsed and stationary coherent external fields are considered. The creation of phonon avalanches as ac

The usefulness and perspectives of acoustic superradiance detection in the dynamical solid state problem investigations are also pointed out.

N(10)-alkyl-acridine-orange derivatives have been prepared with n-alkyl groups containing 2,4,6,8,12, and 16 carbon atoms. The dimerisation of the dyes

The rate of absorption of the derivatives into sodium dodecyl sulphate and sodium dodecylbenzene sulphonate micelles decreases as the size of the alkyl

The effects of protonation and of BH₃ complexation on the highly basic cyclophosphazene N₃P₃(NMe₂)₆ are investigated within the framework of the CNDO/2 approximation. A noticeable diminution of the electronic density occurs into (PNP) Dewar islands supporting experimental evidence provided by X-ray diffraction and the Faraday effect.

A summary of recent progress in the physical chemistry connected with both equilibrium properties and molecular dynamics of pure liquids is presented. After a short survey of pair potentials and various aspects of the structure of monoatomic dense fluids, selected potential models for polyatomic molecules are discussed. In particular, some computational methods concerning evaluation of structural and thermodynamic properties in cases where the molecules interact via angle-dependent potentials are reviewed.

For the dynamics of translational motion of molecules in pure liquids, emphasis is placed on the long time behaviour of various correlation functions and their interpretation in terms of collective molecular motion. Some results of interaction induced light scattering are also included. The dynamics of vibrational motion is mainly discussed on the basis of the recently developed picosecond laser pulse technique. Rotational motion is treated from the viewpoint of orientational correlation functions and angular velocity correlation functions. This is followed by a discussion of some aspects of applying laser pulse methods for elucidating the rotational dynamics of molecules in solution. Finally, a few significant results concerning relaxation of flexible molecular groups are reported.

The CT-spectra of complexes of phenyl-substituted ethylenes, with TCNE as acceptor in various arrangements, are calculated. Conclusions about the structure of such weak complexes in solution may be drawn from a comparison with experimental electronic spectra. Within the framework of this static structural model the two observed CT-bands are explained by absorption from preferred arrangements; the acceptor is arranged about the double bond (first CT-band) or about one of the benzene rings (second CT-band). The calculations are performed by a modified PPP method. The good agreement with experimental results of both complexes and component molecules is mainly due to the unaltered intramolecular parameters in the complex and to the increased intermolecular electron-repulsion integrals (a factor of 1.5 was added to the Mataga—Nishimoto formula).