Here we explore in silico an alternative to make planar eight π-electron bare ring systems with substitutions of some cyclooctatetraene ring carbon atoms by heavier group 14 elements. We found that the most stable eight membered rings with formulae C(4)Si(4)H(8), C(4)Ge(4)H(8), and C(4)Sn(4)H(8) have a perfect planar structure, enhancing delocalization energy as compared to cot.

This review is intended to give a pedagogical and unified view on the subject of the statistics and scaling of physical quantities in disordered electron systems at very low temperatures. Quantum coherence at low temperatures and randomness of microscopic details can cause large fluctuations of physical quantities. In such mesoscopic systems a localization-delocalization transition can occur wh...

The degree of -electron (de)localization and aromaticity of a series of polybenzenoid hydrocarbons (PBHs) has been analyzed through the π-contribution to the electron localization function (ELFπ), calculated at the B3LYP/6-311G(d,p) hybrid density functional theory level. The extent of -electron delocalization in the various hexagons of a PBH was determined through analysis of the bifurcation...

Density functional theory (DFT) has been applied to model the structure of (Ag•CH2OH/A) complexes previously experimentally characterized by electron paramagnetic resonance (EPR) in zeolite matrices. The magnetic parameters of (Ag•CH2OH/A) were found to depend on the local structure of the zeolite represented by clusters referred to as 3T and 6T, and also on the applied computational method. A ...

Metal-amine solutions provide a unique arena in which to study electrons in solution, and to tune the electron density from the extremes of electrolytic through to true metallic behavior. The existence and structure of a new class of concentrated metal-amine liquid, Li-NH3 -MeNH2 , is presented in which the mixed solvent produces a novel type of electron solvation and delocalization that is fun...

Electrical conductivity of organic semiconductor materials represents one of the critical parameters that control the performance efficiency of organic-based electronic and optoelectronic devices. For materials assembled from planar aromatic molecules, evidence suggests that charge carrier mobility is usually maximized along the direction of cofacial π-π stacking of the molecules.1-3 While such...

The extent of triplet state delocalization is investigated in rigid linear zinc porphyrin oligomers as a function of interporphyrin bonding characteristics, specifically in meso-meso singly linked and β,meso,β fused structures, using electron paramagnetic resonance techniques. The results are compared with those of earlier measurements on porphyrin oligomers with alkyne linkers exhibiting diffe...

The interplay between the quantum interferences responsible for one particle localization over a length L1, and the partial dephasing induced by a local interaction of strength U with another particle leading to partial delocalization over a length L2 > L1, is illustrated by a study of the motion of two particles put close to each other at the initial time. Localization is reached in two steps....