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Here, we investigate the interaction of protonated water clusters ((H<jats:sup>+<\/jats:sup>H<jats:sub>2<\/jats:sub>O)<jats:sub>n<\/jats:sub> (where n=1\u20133)) with benzene (Bz), coronene (Cor) and dodecabenzocoronene (Dbc)). To study the structure, stability and spectral features of these complexes, computations are done using DFT\u2010PBE0(+D3) and SAPT0 methods. These interactions are probed by AIM electron density topography and non\u2010covalent interactions index (NCI) analyses. We suggest that the excess proton plays a crucial role in the stability of these model interfaces through strong inductive effects and the formation of <jats:italic>Eigen<\/jats:italic> or <jats:italic>Zundel<\/jats:italic> features. Also, computations reveal that the extension of the \u03c0\u2010aromatic system and the increase of the number of water molecules in the H\u2010bounded water network led to a strengthening of the interactions between the corresponding aromatic compound and protonated water molecules, except when a <jats:italic>Zundel<\/jats:italic> ion is formed. The present findings may serve to understand in\u2010depth the role of proton localized at aqueous medium interacting with large aromatic surfaces such as graphene interacting with acidic liquid water. Besides, we give the IR and UV\u2010Vis spectra of these complexes, which may help for their identification in laboratory.<\/jats:p>","DOI":"10.1002\/cphc.202300267","type":"journal-article","created":{"date-parts":[[2023,6,7]],"date-time":"2023-06-07T12:31:50Z","timestamp":1686141110000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":8,"title":["Formation of <i>Eigen<\/i> or <i>Zundel<\/i> Features at Protonated Water Cluster\u2013Aromatic Interfaces"],"prefix":"10.1002","volume":"24","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-1886-7708","authenticated-orcid":false,"given":"Muthuramalingam","family":"Prakash","sequence":"first","affiliation":[{"name":"Department of Chemistry Faculty of Engineering and Technology SRM Institute of Science and Technology  Kattankulathur 603203, Chengalpattu District Tamil Nadu India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"K.","family":"Rudharachari Maiyelvaganan","sequence":"additional","affiliation":[{"name":"Department of Chemistry Faculty of Engineering and Technology SRM Institute of Science and Technology  Kattankulathur 603203, Chengalpattu District Tamil Nadu India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"N. 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