Counterion Structure Tunes Cetyltrimethylammonium Association in Water: Thermodynamics and Weak-Contact Networks
The role of counterion structure in the stability and interaction mechanisms of cetyltrimethylammonium ion pairs was investigated by employing isothermal titration calorimetry (ITC), molecular dynamics simulations, and quantum-chemical calculations. Alkyl sulfate anions with increasing chain length and tetraphenylbor...