Toward a High‐Performance All‐Plastic Full Battery with a'Single Organic Polymer as Both Cathode and Anode

AIM dual parameter analysis is proposed for the better understanding of weak to strong interactions: Total electron energy densities (Hb(rc)) are plotted versus Laplacian of electron densities (Δρb(rc)) at bond critical points (BCPs). Interactions examined in this work are those in van der Waals adducts, hydrogen bonded complexes, molecular complexes and hypervalent adducts through charge transfer (CT) interactions, and some classical covalent bonds. Data calculated at BCPs for the optimized distances (ro), together with ro − 0.1 A, ro + 0.1 A, and ro + 0.2 A, are employed for the plots. The plots of Hb(rc) versus Δρb(rc) start from near origin (Hb(rc) = Δρb(rc) = 0) and turn to the right drawing a helical stream as a whole. The helical nature is demonstrated to be controlled by the relative magnitudes of kinetic energy densities (Gb(rc)) and potential energy densities (Vb(rc)), where Gb(rc) + Vb(rc) = Hb(rc). Requirements for the data to appear in the specified quadrant are clarified. Points correspondin...

Atoms-in-Molecules Dual Parameter Analysis of Weak to Strong Interactions: Behaviors of Electronic Energy Densities versus Laplacian of Electron Densities at Bond Critical Points

Publisher Summary The dimerization of cation radicals of simple benzene derivatives is usually accompanied by the formation of the corresponding biphenyl derivative. This, by virtue of the extended conjugation is more easily oxidized, and frequently only intractable tars are found as final products. If the reaction medium is carefully selected, so that the biphenyl cation radicals are stable, useful synthetic procedures can be developed. Two mechanisms are probable for the dimerization of cation radicals of anisoles and related compounds. They are termed “radical–radical dimerization” (RRD) and “radical–substrate coupling” (RSC). The oxidation of aromatic hydrocarbons and alkylaromatic compounds in media of low nucleophilicity results in the formation of dimers. The cation radicals of triphenylamines form dimers in high yield when generated in acetonitrile. The products are tetraphenylbenzidines.

Kinetics and mechanisms of reactions of organic cation radicals in solution

Synthetic and bonding aspects of heavier Group 15 (P, As, Sb, Bi) and 16 (S, Se, Te) peri-substituted naphthalenes, are discussed in this review. An important and unifying feature of the chemistry of these systems is the lively discussion about the nature of the interaction between peri-atoms. Are atoms bonded when they are closer than the sum of their van der Waals radii? Is there any (weak) bonding, or just a strained repulsive interaction? Positioning atoms of Group 15 and 16 at the naphthalene 1,8-positions provides leading systems with which to study these bonding issues.

W. Kenneth Musker

Papers

Chemistry of aliphatic thioether cation radicals and dications