Experimental Determination of the Electronic Polarizability of Quinoline and Isoquinoline in Solution by Three New Strategies

The values of electronic polarizability of quinoline and isoquinoline in extremely diluted liquid solution are reported in this paper. These were obtained by means of three new strategies based on UV-visible-NIR spectroscopy, the Kramers-Krönig relations, high precision densitometry and high exactitude refractometry, which are called here Arakawa’s Approximation (AA), Optical Substractive Approximation (OSA) and Optical Differential Approximation (ODA). In general the static electronic polarizability values of solute molecules obtained by ODA and OSA are in excellent agreement with the reported theoretical values at the Density Functional Theory (DFT) level and the Atom monopole-dipole model, but strong discrepancies were observed with the experimental values previously reported for quinoline and isoquinoline using refractometric and electro-optic methods. These differences were interpreted and analyzed in terms of dielectric intermolecular forces, resonant and pre-resonant effects. The AA method is shown to fail in predicting the polarizability of the quinoline and isoquinoline molecules.     

Atomic electronegativity based on hardness and floating spherical gaussian orbital approach

Journal of Mathematical Chemistry - Electronegativity (χ) is an important property of any chemical species as it helps to predict the pattern of physico-chemical interactions. In the present...     

Prevalence of hyperbolicity for complex singular cycles

In this article we consider two kinds of complex singular cycles arising for vector fields defined on three-dimensional manifolds. We prove that, under some generic conditions, any one parameter family of vector fields passing through these cycles has the following property: Hyperbolicity is a prevalent phenomena.Dedicated to the memory of Professor R. Mañé.Partially Supported by Fondecyt 1941080 and Dirección de Investigación Universidad de Santiago de Chile     

A characterization of the kneading sequences associated to Lorenz maps of the interval

In this paper we characterize the kneading sequences associated to Lorenz maps of the interval.     

Why orbitals do not exist?

In this paper we will address the problem of the existence of orbitals by analyzing the relationship between molecular chemistry and quantum mechanics. In particular, we will consider the concept of orbital in the light of the arguments that deny its referring character. On this basis, we will conclude that the claim that orbitals do not exist relies on a metaphysical reductionism which, if consistently sustained, would lead to consequences clashing with the effective practice of science in its different branches.     

Influence of the dielectric medium on the carbonyl infrared absorption peak of acetylferrocene

The solvent effect on the position of the carbonyl vibrational stretching of acetylferrocene in aprotic media was studied in this work. The solvent-induced shifts in this organometallic compound were interpreted in terms of the alternative reaction field model(SCRF-MO) proposed by Kolling. In contrast to the established trends for carbonyl groups in organic systems, the results suggest that the continuum models for the reaction field are not adequate and that the influence of dipolarity-polarizability described by an inhomogeneous coupling function theta(epsilon )L(n(2)) that assumes optical dielectric saturation is responsible for the carbonyl band shift and, there is empirical evidence that the effect of field-induced intermolecular interaction on band shift, interpreted in terms of the van der Waals forces from the solvent, have a important contribution to this phenomena.     

Bifurcation of the essential dynamics of Lorenz maps and applications to Lorenz-like flows: Contributions to the study of the expanding case

In this article we provide, by using kneadings sequences, the combinatorial bifurcation diagramme associated to a typical two parameter of Lorenz maps on the real line. We apply these results to two parameter families of geometric Lorenz-like flows.Partially supported by Fondecyt grants #1970720, #1990903, DICYT-USACH-Chile and PRONEX on Dynamical Systems. Brazil.