Journal Article

PUBDB-2022-04965

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Quantum tunnelling facilitates the water motion across the surface of phenanthrene

Loru, D.Extern*DESY* ; Steber, A.CFEL*MPG*DESY* ; Perez Cuadrado, C.Extern* ; Obenchain, D.Extern*DESY* ; Temelso, B. ; Lopez, J. C.Extern* ; Schnell, M. (Corresponding author)CFEL*DESY*

2023
ACS Publications Washington, DC

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Please use a persistent id in citations: doi:10.1021/jacs.3c04281  doi:10.3204/PUBDB-2022-04965

Abstract: Quantum tunnelling is a fundamental phenomenon that plays a pivotal role in the motion and interaction of atoms and molecules. In particular, its influence in the interaction between water molecules and carbon surfaces can have significant implications for a multitude of fields ranging from atmospheric chemistry to separation technologies. Here, we unveil at the molecular level the complex motion dynamics of a single water molecule on the planar surface of the polycyclic aromatic hydrocarbon phenanthrene, which was used as a small-scale carbon surface-like model. In this system, the water molecule interacts with the substrate through weak O-H ...$\pi$ hydrogen bonds, in which phenanthrene acts as the hydrogen bond acceptor via the high electron density of its aromatic cloud. The rotational spectrum, which was recorded using chirped-pulse Fourier transform microwave spectroscopy, exhibits characteristic line splittings as dynamical features. The nature of the internal dynamics was elucidated in great detail with the investigation of the isotope-substitution effect on the line splittings in the rotational spectra of the H$_2$$^{18}$O, D$_2$O and HDO isotopologues of the phenanthrene-H$_2$O complex. The spectral analysis revealed a complex internal dynamic showing a concerted tunnelling motion of the water involving its internal rotation and its translation between the two equivalent peripheral rings of phenanthrene. This high-resolution spectroscopy study presents the observation of a tunnelling motion exhibited by the water monomer when interacting with a planar carbon surface with an unprecedented level of detail. This can serve as a small-scale analogue for water motions on large aromatic surfaces, i.e., large polycyclic-aromatic hydrocarbons and graphene.

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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. ASTROROT - Unraveling interstellar chemistry with broadband microwave spectroscopy and next-generation telescope arrays (638027) (638027)

Experiment(s):

1. No specific instrument

Appears in the scientific report 2023

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Database coverage:
; ; ; BIOSIS Previews ; Biological Abstracts ; Chemical Reactions ; Clarivate Analytics Master Journal List ; Current Contents - Electronics and Telecommunications Collection ; Current Contents - Life Sciences ; Current Contents - Physical, Chemical and Earth Sciences ; DEAL Wiley ; Ebsco Academic Search ; Essential Science Indicators ; IF >= 10 ; Index Chemicus ; JCR ; Nationallizenz ; SCOAP3 sponsored Journal ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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