Intermolecular interactions in high-energy systems

Author: Xiao Hemin
Publisher:
Publish Date: 2004-01-01
Features: This book summarizes part of the author's research work over the past six years, outlining the intermolecular interactions and structure-property relationships in high-energy polymers, mixtures, and crystals. The book is divided into eight chapters: Chapter 1 briefly introduces the concepts, nature, research methods, and objectives of supramolecular chemistry and intermolecular interactions; Chapters 2 to 6 discuss the intermolecular interactions in four major categories (nitro, nitramine, nitrate, and azide systems) and other high-energy systems, primarily based on high-precision computational results in the gas phase, including discussions on structures, IR spectra, and thermodynamic properties, and revealing the structural similarity between stable dimers and molecular crystals; Chapter 7 describes the intermolecular interactions in typical high-energy crystals and their adsorption systems, consistent with experimental lattice energies and adsorption heats; Chapter 8 predicts the approximate interactions between typical high-energy compounds and a series of polymers, opening new avenues for the formulation design of polymer-bonded explosives (PBX) or other composite high-energy materials.