Bonding Motifs in Metal-Organic Compounds on Surfaces

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F18%3A73591469" target="_blank" >RIV/61989592:15310/18:73591469 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/68378271:_____/18:00501415

Výsledek na webu

<a href="https://pubs.acs.org/doi/10.1021/jacs.8b06765" target="_blank" >https://pubs.acs.org/doi/10.1021/jacs.8b06765</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/jacs.8b06765" target="_blank" >10.1021/jacs.8b06765</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Bonding Motifs in Metal-Organic Compounds on Surfaces

Popis výsledku v původním jazyce

The bonds in metal organic networks on surfaces govern the resulting geometry as well as the electronic properties. Here, we study the nature of these bonds by forming phenazine-copper complexes on a copper surface by means of atomic manipulation. The structures are characterized by a combination of scanning probe microscopy and density functional theory calculations. We observed an increase of the molecule-substrate distance upon covalent bond formation and an out-of-plane geometry that is in direct contradiction with the common expectation that these networks are steered by coordination bonds. Instead, we find that a complex energy balance of hybridization with the substrate, inhomogeneous Pauli repulsion, and elastic deformation drives the phenazine-copper interaction. Most remarkably, this attractive interaction is not driven by electron acceptor properties of copper but is of completely different donation/back-donation mechanism between molecular pi-like orbitals and sp-like metal states. Our findings show that the nature of bonds between constituents adsorbed on surfaces does not have to follow the common categories.

Název v anglickém jazyce

Bonding Motifs in Metal-Organic Compounds on Surfaces

Popis výsledku anglicky

The bonds in metal organic networks on surfaces govern the resulting geometry as well as the electronic properties. Here, we study the nature of these bonds by forming phenazine-copper complexes on a copper surface by means of atomic manipulation. The structures are characterized by a combination of scanning probe microscopy and density functional theory calculations. We observed an increase of the molecule-substrate distance upon covalent bond formation and an out-of-plane geometry that is in direct contradiction with the common expectation that these networks are steered by coordination bonds. Instead, we find that a complex energy balance of hybridization with the substrate, inhomogeneous Pauli repulsion, and elastic deformation drives the phenazine-copper interaction. Most remarkably, this attractive interaction is not driven by electron acceptor properties of copper but is of completely different donation/back-donation mechanism between molecular pi-like orbitals and sp-like metal states. Our findings show that the nature of bonds between constituents adsorbed on surfaces does not have to follow the common categories.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2018

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

ISSN

0002-7863

e-ISSN

—

Svazek periodika

140

Číslo periodika v rámci svazku

40

Stát vydavatele periodika

AF - Afghánská islámská republika

Počet stran výsledku

6

Strana od-do

12884-12889

Kód UT WoS článku

000447354800038

EID výsledku v databázi Scopus

2-s2.0-85054357687