ABSTRACT
Chemists have always strived to comprehend how atoms combine to form compounds of both simple and complex architecture. The variety of compounds which surround us is formed by the difference in the chemical bonding between the mere 118 atoms of the periodic table. There is no denial that these strong chemical bonds that hold the atoms of a molecule together are important,1-7 but equally important is to understand how these molecules are held together to form large clusters and supramolecular assemblies.8-15 Unraveling the structure of these assemblies and correlating with their functions have been the central theme of many chemical and biological investigations.16-22 In such a scenario, it becomes crucial not only to know the geometrical disposition of the system but also to have a clear idea about the various forces that hold together these assemblies and govern its stability. The forces holding molecules together in such large assemblies play an important
15.1 Introduction .................................................................................................. 313 15.2 KM Scheme .................................................................................................. 315 15.3 RVS Scheme ................................................................................................. 322 15.4 Comparison of KM and RVS Schemes ........................................................ 325 15.5 LMO-EDA Scheme ...................................................................................... 325 15.6 SAPT ............................................................................................................ 333 15.7 Conclusion .................................................................................................... 338 Acknowledgments .................................................................................................. 338 References .............................................................................................................. 338
role in determining the properties of organic, inorganic, organometallic, biomolecular, and supramolecular systems.23-27 In addition, the role of intermolecular interactions in specicity and selectivity of chemical reactions and biocatalysis, molecular recognition phenomenon, and drug-receptor interactions has also been identied.28-38Although these intermolecular forces are signicantly weaker than the chemical bond, a thorough understanding and quantication of these forces are of utmost importance. Such vital information will not only help to modify the structure and hence the function of drugs and materials but also aid in the design of new functional molecules, nanomaterials, and molecular devices with improved efcacy.39-43 Thus, the study of intermolecular interactions has received intensive attention of researchers and has been the main topic of research in the past 100 years.
