Surface Ordering in Molecular Clusters by Interactions of Well-Defined Parity Multipoles

Cannavacciuolo, Luigi; Hulliger, Jürg (2019). Surface Ordering in Molecular Clusters by Interactions of Well-Defined Parity Multipoles. ACS Omega, 4(17), pp. 17511-17518. American Chemical Society 10.1021/acsomega.9b02349

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The spontaneous alignment of dipoles in patterns tangential or transversal to the interface of molecular clusters is studied by molecular dynamics simulations throughout the entire aggregation process. Tangential ordering (TANGO) is found to rely on dispersion forces driven by dipolar fluctuations. Transversal ordering (TRANSO) results from the interplay of two conditions: the broken translational invariance at the cluster interface and the interactions of multipoles of opposite parity. In this case, the orientational order parameter at the interface follows a universal scaling law behavior. In the limiting case of strongly interacting particles, a sharp structural transition from a disordered into an ordered state is observed at a critical distance inside the cluster and at a critical magnitude of the dipole moment.

Item Type:

Journal Article (Original Article)

Division/Institute:

08 Faculty of Science > Departement of Chemistry and Biochemistry

UniBE Contributor:

Cannavacciuolo, Luigi and Hulliger, Jürg

Subjects:

500 Science > 570 Life sciences; biology
500 Science > 540 Chemistry

ISSN:

2470-1343

Publisher:

American Chemical Society

Language:

English

Submitter:

Franziska Bornhauser-Rufer

Date Deposited:

06 Feb 2020 15:10

Last Modified:

06 Feb 2020 15:20

Publisher DOI:

10.1021/acsomega.9b02349

BORIS DOI:

10.7892/boris.139699

URI:

https://boris.unibe.ch/id/eprint/139699

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