Opendata, web and dolomites


Three-Dimensional Mapping Of a Single Hydrogen Bond

Total Cost €


EC-Contrib. €






 3DMOSHBOND project word cloud

Explore the words cloud of the 3DMOSHBOND project. It provides you a very rough idea of what is the project "3DMOSHBOND" about.

dft    changed    designed    accuracy    junction    functional    vertically    groups    strength    proof    definition    reimagining    bonding    create    layer    molecule    variety    outline    unparalleled    potentials    theory    unprecedented    clear    oriented    3d    governed    power    imaging    3dmoshbond    demonstration    scanning    fundamental    initio    microscope    governing    paradigm    probe    2011    interactions    generalised    atomic    molecules    place    sub    poorly    reproduce    position    critical    shape    creation    resolution    hydrogen    highlighting    characterisation    molecular    force    atoms    shift    simulations    hitherto    density    indirectly    all    tip    complementary    ab    despite    relatively    interaction    single    iupac    experimental    interatomic    functionalisation    map    investigation    intermolecular    direct    precision    relevance    angstrom    engage    complete    bond    ultimately    forces    biologically    regarding    techniques    magnitude   

Project "3DMOSHBOND" data sheet

The following table provides information about the project.


Organization address
city: LEEDS
postcode: LS2 9JT

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country United Kingdom [UK]
 Total cost 1˙971˙468 €
 EC max contribution 1˙971˙468 € (100%)
 Programme 1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
 Code Call ERC-2017-STG
 Funding Scheme ERC-STG
 Starting year 2018
 Duration (year-month-day) from 2018-01-01   to  2022-12-31


Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    UNIVERSITY OF LEEDS UK (LEEDS) coordinator 1˙971˙468.00


 Project objective

All properties of matter are ultimately governed by the forces between single atoms, but our knowledge of interatomic, and intermolecular, potentials is often derived indirectly.

In 3DMOSHBOND, I outline a program of work designed to create a paradigm shift in the direct measurement of complex interatomic potentials via a fundamental reimagining of how atomic resolution imaging, and force measurement, techniques are applied.

To provide a clear proof of principle demonstration of the power of this concept, I propose to map the strength, shape and extent of single hydrogen bonding (H-bonding) interactions in 3D with sub-Angstrom precision. H-bonding is a key component governing intermolecular interactions, particularly for biologically important molecules. Despite its critical importance, H-bonding is relatively poorly understood, and the IUPAC definition of the H-bond was changed as recently as 2011- highlighting the relevance of a new means to engage with these fundamental interactions.

Hitherto unprecedented resolution and accuracy will be achieved via a creation of a novel layer of vertically oriented H-bonding molecules, functionalisation of the tip of a scanning probe microscope with a single complementary H-bonding molecule, and by complete characterisation of the position of all atoms in the junction. This will place two H-bonding groups “end on” and map the extent, and magnitude, of the H-bond with sub-Angstrom precision for a variety of systems. This investigation of the H-bond will present us with an unparalleled level of information regarding its properties.

Experimental results will be compared with ab initio density functional theory (DFT) simulations, to investigate the extent to which state-of-the-art simulations are able to reproduce the behaviour of the H-bonding interaction. The project will create a new generalised probe for the study of single atomic and molecular interactions.

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The information about "3DMOSHBOND" are provided by the European Opendata Portal: CORDIS opendata.

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