DECISIVE-FRAGMENT MODEL AND THEORETICAL CALCULATIONS OF SOLVENT REORGANIZATION ENERGIES IN SYMMETRICAL ELECTRON EXCHANGE-REACTIONS IN PARASUBSTITUTED NITROBENZENES

The INDO method and Kirkwood-Westheimer approximation were used to calculate solvent reorganization energies in one-electron transfer processes taking place in nitroarene/nitroarene radical-anion systems. The values found correlated in a satisfactory manner with experimental values. It was shown that the ''decisive-fragment model'' suggested previously by the authors provides a satisfactory description of electron transfer processes in para-substituted nitrobenzenes

DECISIVE-FRAGMENT MODEL AND THEORETICAL CALCULATIONS OF SOLVENT REORGANIZATION ENERGIES IN SYMMETRICAL ELECTRON EXCHANGE-REACTIONS IN PARASUBSTITUTED NITROBENZENES

The INDO method and Kirkwood-Westheimer approximation were used to calculate solvent reorganization energies in one-electron transfer processes taking place in nitroarene/nitroarene radical-anion systems. The values found correlated in a satisfactory manner with experimental values. It was shown that the ''decisive-fragment model'' suggested previously by the authors provides a satisfactory description of electron transfer processes in para-substituted nitrobenzenes

Facile Synthesis and Self-Assembly of Zinc (2-Diethoxyphosphorylethynyl)porphyrins

Invited for the cover of this issue are Alla Lemeune, Alexander Yu. Mitrofanov, Irina P. Beletskaya and co-workers from the International Associated Laboratory of Macrocyclic Systems and Related Materials (LIA LAMREM) of CNRS and RAS supported by RFBR and included the ICMUB, Université Bourgogne Franche-Comté (Dijon, France), Frumkin Institute of Physical Chemistry and Electrochemistry, Peoples’ Friendship University and Lomonosov Moscow State University (Moscow, Russia). The cover image shows the biomimetic self-organization of (phosphorylethynyl)porphyrins. © 2019 WILEY-VCH Verlag GmbH & Co. KGaA, Weinhei