Equilibrium Effective Molarity As a Key Concept in Ring-Chain Equilibria, Dynamic Combinatorial Chemistry, Cooperativity and Self-assembly

摘要: Abstract The growing interest towards cyclizations under thermodynamic control is witnessed by the large number of papers dedicated to ring-chain equilibria, dynamic combinatorial chemistry, cooperativity and self-assembly. No doubt, in all these topics, cyclic or polycyclic molecular entities play a dominant role. In this chapter, concept equilibrium effective molarity (EM), which gives quantification ease formation compound, presented as fil rouge that allows quantitative analysis phenomenology related title matters. Initially, physicochemical bases on EM founded are described together with connections Jacobson–Stockmayer theory intramolecular reactions linear systems. Distributions species and ring–ring systems terms EM, conditions obtain selected macrocycle (self-assembly macrocyclization) discussed. further applied libraries based single monomer, two different monomers. case templated library also considered. Finally, after due discussion methods for evaluation statistical factors, phenomenon cooperativity binding processes analysed dissecting it into three contributions, namely, allosteric, chelate and interannular cooperativity. It shown chelate effect, measured plays key role quantifications latter crucial assessment multivalency, stability assemblies.