Experimental and Theoretical Mechanistic Study on the Thermal Decomposition of 3,3-diphenyl-4-(trichloromethyl)-5-nitropyrazoline

The present paper is a continuation of comprehensive study regarding to synthesis and properties of pyrazoles and their derivatives. In its framework an experimental and theoretical studies of thermal decomposition of the 3,3-diphenyl-4-(trichloromethyl)-5-nitropyrazoline were performed. It was found, that the decompositions of the mentioned pyrazoline system in the solution and at the melted state proceed via completely different molecular mechanisms. These mechanisms have been explained in the framework of the Molecular Electron Density Theory (MEDT) with the computational level of B3LYP/6-31G(d). A Bonding Evolution Theory (BET) examination of dehydrochlorination of the 3,3-diphenyl-4-(trichloromethyl)-5-nitropyrazoline permits elucidation of the molecular mechanism. It was found, that on the contrary for most known HCl extrusion processes in solution, this reaction is realised via single-step mechanism.     

Crystal Structure,Phase Transition and Ferroelastic Properties of [N(CH3)4]3[As2Cl9]

The crystal structure of [N(CH₃)₄]₃[As₂Cl₉] is determined at 293 K. It crystallizes in trigonal space group P31c: a = 9.2199(8), c = 21.065(3)Å, Z = 2, R₁ = 0.0505, wR₂ = 0.1283. The crystal is built of the discrete bioctahedral [As₂Cl₉]^3— anions and the deformed tetramethylammonium cations. A structural phase transition in [N(CH₃)₄]₃[As₂Cl₉] is detected by the DSC and dilatometric techniques at 146/151 K (on cooling/heating). Dielectric relaxation studies in the frequency range 75 kHz — 5 MHz indicate reorientations of the tetramethylammonium cations within the high temperature phase. Optical observations show the existence of the ferroelastic domain structure below 146 K. The possible mechanism of phase transition is discussed on the basis of the presented results.     

The Polyakov path integral over bordered surfaces

Following the general scheme of the convariant path integral quantization of gauge systems, two alternative formulations of the first quantized closed bosonic string in a position representation are presented. In both approaches the covariant path integral representations of the propagator and of the higher order off-shell amplitudes are constructed. For a wide class of gauges the explicit formulae for off-shell amplitudes are obtained. This paper is the continuation of our previous work where the corresponding problems in the open string case were considered [20].     

Generalized Einstein conditions on holomorphic Riemannian manifolds

Summary At first, a necessary and sufficient condition for a K?hler-Norden manifold to be holomorphic Einstein is found. Next, it is shown that the so-called (real) generalized Einstein conditions for K?hler-Norden manifolds are not essential since the scalarcurvature of such manifolds is constant. In this context, we study generalized holomorphic Einstein conditions. Using the one-to-one correspondence between K?hler-Norden structures and holomorphic Riemannian metrics, we establish necessary and sufficient conditions for K?hler-Norden manifolds to satisfy the generalized holomorphic Einstein conditions. And a class of new examples of such manifolds is presented. Finally, in virtue of the obtained results, we mention that Theorems 1 and 2 of H. Kim and J. Kim [10] are not true in general.     

Fibres of width 3 ordered sets

We show that in an ordered setP of width 3 there always exists a fibre (i.e., a subset intersecting each maximal nontrivial antichain) of size at most 11/18|P|. This improves previously known results.Research supported by Polish KBN Grant 2 2037 92 03.