| Abstract
| - We report a quantum mechanical study on the electrostatic interactions found in poly(l-lysine)·alkyl sulfatecomplexes, which are materials with interesting technological properties able to adopt self-assembledsupramolecular structures. For this purpose, 19 reduced complexes were considered in the gas phase, chloroformsolution, and aqueous solution. Calculations in the gas phase were carried out up to the MP2/6-311++G(d,p)level, while the influence of the bulk solvent was investigated at the HF/6-311++G(d,p) level using thepolarizable continuum model. The electrostatic interaction characteristics of poly(l-lysine)·alkyl sulfatecomplexes have been compared with those of alkyltrimethylammonium·poly(α,l-glutamate) complexes, arelated family of materials previously investigated.
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