Nature of binding in planar halogen-benzene assemblies and their possible visualization in scanning probe microscopy

0509523 - FZÚ 2020 RIV US eng J - Journal Article
Gallardo Caparrós, Aurelio Jesús - Fanfrlík, Jindřich - Hobza, Pavel - Jelínek, Pavel
Nature of binding in planar halogen-benzene assemblies and their possible visualization in scanning probe microscopy.
Journal of Physical Chemistry C. Roč. 123, č. 13 (2019), s. 8379-8386. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA MŠMT LM2015087; GA MŠMT(CZ) EF16_019/0000760; GA ČR(CZ) GA18-09914S
Grant - others:OP VVV - SOLID21(XE) CZ.02.1.01/0.0/0.0/16_019/0000760; AV ČR(CZ) Praemium Academiae
Institutional support: RVO:68378271 ; RVO:61388963
Keywords : on surface chemistry * halogen bonding * molecular assembling * nc-AFM
OECD category: Physical chemistry; Physical chemistry (UOCHB-X)
Impact factor: 4.189, year: 2019
Method of publishing: Limited access
https://doi.org/10.1021/acs.jpcc.8b09631

We show that formation of molecular assemblies made of C6Br6 and C6F6 on surfaces is driven by interplay between halogen and dispersive interaction. Next, for the C6Br6 and C6F6 assemblies on surface we analyze simulated high-resolution inelastic electron tunneling spectroscopy (IETS) and atomic force microscopy (AFM) images acquired with a CO-tip. Very good agreement with the experimental evidence allows us to unambiguously determine that the lateral bending of CO-tip due to Pauli repulsion is responsible for the intermolecular sharp edges.

Permanent Link: http://hdl.handle.net/11104/0300254