Theoretical study on the hydrophobic and hydrophilic hydration on large solutes: The case of phthalocyanines in water.

Abstract

A theoretical study on the hydration phenomena of three representative Phthalocyanines (Pcs): the metal-free, H2Pc, and the metal-containing, Cu-phthalocyanine, CuPc, and its soluble sulphonated derivative, [CuPc(SO3)4](4-), is presented. Structural and dynamic properties of molecular dynamics trajectories of these Pcs in solution were evaluated. The… (More)
DOI: 10.1063/1.4927003

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Cite this paper

@article{Martn2015TheoreticalSO, title={Theoretical study on the hydrophobic and hydrophilic hydration on large solutes: The case of phthalocyanines in water.}, author={Elisa I. Mart{\'i}n and Jos{\'e} Manuel Mart{\'i}nez and Enrique S{\'a}nchez Marcos}, journal={The Journal of chemical physics}, year={2015}, volume={143 4}, pages={044502} }