Work

Formation of Water Networks on Anionic Perylene

Year: 2025

Type: article

Abstract: We present infrared photodissociation spectra of hydrated perylene anion clusters with up to four water molecules, as well as electronic structure calculations based on density functional theory. Water molecules form weak hydrogen bonds to the π system of the perylene anion. For clusters with more than one water molecule, water-water hydrogen bonds are formed, which generally appear to be stronger than water-π hydrogen bonds, especially for the trihydrate and tetrahydrate. The resulting water networks exist as water subclusters on the surface of the carbon frame of perylene. We observe temperature-dependent dynamic effects, which highlight large amplitude motions of the water network and the shallowness of the potential energy surfaces governing the structures of these clusters.

Source: The Journal of Physical Chemistry A

DOI: 10.1021/acs.jpca.5c00569

Authors: Heinrich Salzmann, Natalie LeMessurier, Joel D. Eaves, J. Mathias Weber

Institution: Joint Institute for Laboratory Astrophysics

Language: English

Topic: Spectroscopy and Quantum Chemical Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: green

Funders: Office of Advanced Cyberinfrastructure, Basic Energy Sciences

Awards: G1060868137, G7307965117, G7807307182