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3DMOSHBOND SIGNED

Three-Dimensional Mapping Of a Single Hydrogen Bond

Total Cost €

EC-Contrib. €

Partnership

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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.

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

Project "3DMOSHBOND" data sheet

The following table provides information about the project.

Coordinator	UNIVERSITY OF LEEDS Organization address address: WOODHOUSE LANE city: LEEDS postcode: LS2 9JT website: www.leeds.ac.uk 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

Partnership

Take a look of project's partnership.

#	participants	country	role	EC contrib. [€]
1	UNIVERSITY OF LEEDS UNIVERSITY OF LEEDS Organization address address: WOODHOUSE LANE city: LEEDS postcode: LS2 9JT website: www.leeds.ac.uk contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	UK (LEEDS)	coordinator	1˙971˙468.00
2	THE UNIVERSITY OF NOTTINGHAM THE UNIVERSITY OF NOTTINGHAM Organization address address: University Park city: NOTTINGHAM postcode: NG7 2RD website: www.nottingham.ac.uk contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	UK (NOTTINGHAM)	participant	0.00

Map

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.