LINEAR FREE-ENERGY RELATIONSHIPS AND PAIRWISE INTERACTIONS IN SUPRAMOLECULAR CHEMISTRY

Association free energies G(t) of supramolecular complexes can be desc ribed by simple additive increments. These are taken either directly f rom plots of experimental G(t) vs. the number of interactions occurrin g in the complexes, or - if many different ligand sites are participat ing - by using numbers for their electron donating or accepting proper ties, e.g. from Single hydrogen bond measurements in carbon tetrachlor ide, in analogy to substituent constants in LFER. Thus empirically sec ured increments for Coulomb-, hydrogen bond-, van der Waals-, and iono phore interactions can be used for understanding and designing complex es of biological and industrial importance.