Journal Article

PUBDB-2025-02036

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Water Docking Bias in [4]Helicene

Rosa Domingos, S. M. (Corresponding author)Extern*DESY* ; Martin, K. ; Avarvari, N. ; Schnell, M. (Corresponding author)CFEL*DESY*

2019
Wiley-VCH Weinheim

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Please use a persistent id in citations: doi:10.1002/ange.201902889

Abstract: We report on the one- and two-water clusters of [4]helicene, the smallest polycyclic aromatic hydrocarbon with a helical sense, which were captured in the gas phase using high-resolution rotational spectroscopy. The structures of the complexes are unambiguously revealed using microwave spectra of isotopically enriched species. In the one-water cluster, the apparent splitting pattern is consistent with a tunneling motion that encompasses an exchange of strongly and weakly bonded water hydrogens. This motion is “locked” in the two-water cluster. The relevant intermolecular contacts, symmetry, and aromaticity effects are unveiled for the microsolvated chiral topologies. These observations entail the first glance at the structures and internal dynamics of the water binding motifs of a chiral polycyclic aromatic hydrocarbon.

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Contributing Institute(s):

1. Spectroscopy of molecular processes (FS-SMP)

Research Program(s):

1. 631 - Matter – Dynamics, Mechanisms and Control (POF4-631) (POF4-631)
2. DFG project G:(GEPRIS)328961117 - SFB 1319: Extremes Licht zur Analyse und Kontrolle molekularer Chiralität (ELCH) (328961117) (328961117)

Experiment(s):

1. No specific instrument

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Database coverage:
; DEAL Wiley ; Ebsco Academic Search ; Nationallizenz ; SCOPUS

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