DOI: 10.1039/d3cp02649c ISSN:
The hydration of an oxy-polycyclic aromatic compound: the case of naphthaldehyde
Jordan A. Claus, Celina Bermúdez, Valérie Vallet, Laurent Margulès, Manuel Goubet- Physical and Theoretical Chemistry
- General Physics and Astronomy
Analysis of the structures of monohydrated naphthaldehyde indicates that the β-isomer exhibits higher hydrophilicity compared to the α-isomer, supported by electronic densities, hydration energies, and structural considerations.