Anion clusters of naphthalene and solvents: structure, ion core, and intermolecular interactions

Literature Information

Publication Date 2009-08-25
DOI 10.1039/B903626A
Impact Factor 3.676
Authors

Sang Hak Lee, Jeong Hyun Kim, Inho Chu, Jae Kyu Song


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Abstract

We carried out a comparative study on the anion clusters of naphthalene with various solvents to understand the nature of intermolecular interactions involving an aromatic anion. Photoelectron spectra of mass-selected naphthalene anion clusters, (Np)1−(Sol)n (Sol = benzene, naphthalene, water, and acetone), were obtained, from which the electron affinities were estimated. The electron affinities were significantly different from the vertical detachment energies due to the geometry difference between the neutral and anion clusters along intermolecular coordinates. Theoretical calculations showed that the most stable structure of the naphthalene–acetone anion cluster tends to be a T-shaped geometry because the intermolecular interaction is dominated by π–hydrogen bonding. With the attachment of a second solvent, solvent–solvent interaction was found to compete with ion–solvent interaction for the stable geometries of the anion clusters.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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