Conformational Control of Chemical Reactivity for Surface-Confined Ru-Porphyrins

Peter Knecht; Joachim Reichert; Peter S. Deimel; Peter Feulner; Felix Haag; Francesco Allegretti; Manuela Garnica; Martin Schwarz; Willi Auwärter; Paul T.P. Ryan; Tien Lin Lee; David A. Duncan; Ari Paavo Seitsonen; Johannes V. Barth; Anthoula C. Papageorgiou

doi:10.1002/anie.202104075

Conformational Control of Chemical Reactivity for Surface-Confined Ru-Porphyrins

Peter Knecht
, Joachim Reichert
, Peter S. Deimel
, Peter Feulner
, Felix Haag
, Francesco Allegretti
, Manuela Garnica
, Martin Schwarz
, Willi Auwärter
, Paul T.P. Ryan
, Tien Lin Lee
, David A. Duncan
, Ari Paavo Seitsonen
, Johannes V. Barth
, Anthoula C. Papageorgiou

Technical University of Munich
IMDEA Nanociencia
Diamond Light Source
Imperial College London
Technical University of Vienna
Ecole Normale Supérieure
École Normale Supérieure and Paris Sciences and Lettres (PSL) Research University

Research output: Contribution to journal › Article › peer-review

19 Scopus citations

Abstract

We assess the crucial role of tetrapyrrole flexibility in the CO ligation to distinct Ru-porphyrins supported on an atomistically well-defined Ag(111) substrate. Our systematic real-space visualisation and manipulation experiments with scanning tunnelling microscopy directly probe the ligation, while bond-resolving atomic force microscopy and X-ray standing-wave measurements characterise the geometry, X-ray and ultraviolet photoelectron spectroscopy the electronic structure, and temperature-programmed desorption the binding strength. Density-functional-theory calculations provide additional insight into the functional interface. We unambiguously demonstrate that the substituents regulate the interfacial conformational adaptability, either promoting or obstructing the uptake of axial CO adducts.

Original language	English
Pages (from-to)	16561-16567
Number of pages	7
Journal	Angewandte Chemie - International Edition
Volume	60
Issue number	30
DOIs	https://doi.org/10.1002/anie.202104075
State	Published - 19 Jul 2021

Keywords

CO ligands
X-ray spectroscopy
ab-initio calculations
metalloporphyrins
scanning probe microscopy

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10.1002/anie.202104075

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Knecht, P., Reichert, J., Deimel, P. S., Feulner, P., Haag, F., Allegretti, F., Garnica, M., Schwarz, M., Auwärter, W., Ryan, P. T. P., Lee, T. L., Duncan, D. A., Seitsonen, A. P., Barth, J. V., & Papageorgiou, A. C. (2021). Conformational Control of Chemical Reactivity for Surface-Confined Ru-Porphyrins. Angewandte Chemie - International Edition, 60(30), 16561-16567. https://doi.org/10.1002/anie.202104075

@article{068fb70ca9e84925b3159bf299f5ce95,

title = "Conformational Control of Chemical Reactivity for Surface-Confined Ru-Porphyrins",

abstract = "We assess the crucial role of tetrapyrrole flexibility in the CO ligation to distinct Ru-porphyrins supported on an atomistically well-defined Ag(111) substrate. Our systematic real-space visualisation and manipulation experiments with scanning tunnelling microscopy directly probe the ligation, while bond-resolving atomic force microscopy and X-ray standing-wave measurements characterise the geometry, X-ray and ultraviolet photoelectron spectroscopy the electronic structure, and temperature-programmed desorption the binding strength. Density-functional-theory calculations provide additional insight into the functional interface. We unambiguously demonstrate that the substituents regulate the interfacial conformational adaptability, either promoting or obstructing the uptake of axial CO adducts.",

keywords = "CO ligands, X-ray spectroscopy, ab-initio calculations, metalloporphyrins, scanning probe microscopy",

author = "Peter Knecht and Joachim Reichert and Deimel, \{Peter S.\} and Peter Feulner and Felix Haag and Francesco Allegretti and Manuela Garnica and Martin Schwarz and Willi Auw{\"a}rter and Ryan, \{Paul T.P.\} and Lee, \{Tien Lin\} and Duncan, \{David A.\} and Seitsonen, \{Ari Paavo\} and Barth, \{Johannes V.\} and Papageorgiou, \{Anthoula C.\}",

note = "Publisher Copyright: {\textcopyright} 2021 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH",

year = "2021",

month = jul,

day = "19",

doi = "10.1002/anie.202104075",

language = "English",

volume = "60",

pages = "16561--16567",

journal = "Angewandte Chemie - International Edition",

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Knecht, P, Reichert, J, Deimel, PS, Feulner, P, Haag, F, Allegretti, F, Garnica, M, Schwarz, M, Auwärter, W, Ryan, PTP, Lee, TL, Duncan, DA, Seitsonen, AP, Barth, JV & Papageorgiou, AC 2021, 'Conformational Control of Chemical Reactivity for Surface-Confined Ru-Porphyrins', Angewandte Chemie - International Edition, vol. 60, no. 30, pp. 16561-16567. https://doi.org/10.1002/anie.202104075

TY - JOUR

T1 - Conformational Control of Chemical Reactivity for Surface-Confined Ru-Porphyrins

AU - Knecht, Peter

AU - Reichert, Joachim

AU - Deimel, Peter S.

AU - Feulner, Peter

AU - Haag, Felix

AU - Allegretti, Francesco

AU - Garnica, Manuela

AU - Schwarz, Martin

AU - Auwärter, Willi

AU - Ryan, Paul T.P.

AU - Lee, Tien Lin

AU - Duncan, David A.

AU - Seitsonen, Ari Paavo

AU - Barth, Johannes V.

AU - Papageorgiou, Anthoula C.

PY - 2021/7/19

Y1 - 2021/7/19

N2 - We assess the crucial role of tetrapyrrole flexibility in the CO ligation to distinct Ru-porphyrins supported on an atomistically well-defined Ag(111) substrate. Our systematic real-space visualisation and manipulation experiments with scanning tunnelling microscopy directly probe the ligation, while bond-resolving atomic force microscopy and X-ray standing-wave measurements characterise the geometry, X-ray and ultraviolet photoelectron spectroscopy the electronic structure, and temperature-programmed desorption the binding strength. Density-functional-theory calculations provide additional insight into the functional interface. We unambiguously demonstrate that the substituents regulate the interfacial conformational adaptability, either promoting or obstructing the uptake of axial CO adducts.

AB - We assess the crucial role of tetrapyrrole flexibility in the CO ligation to distinct Ru-porphyrins supported on an atomistically well-defined Ag(111) substrate. Our systematic real-space visualisation and manipulation experiments with scanning tunnelling microscopy directly probe the ligation, while bond-resolving atomic force microscopy and X-ray standing-wave measurements characterise the geometry, X-ray and ultraviolet photoelectron spectroscopy the electronic structure, and temperature-programmed desorption the binding strength. Density-functional-theory calculations provide additional insight into the functional interface. We unambiguously demonstrate that the substituents regulate the interfacial conformational adaptability, either promoting or obstructing the uptake of axial CO adducts.

KW - CO ligands

KW - X-ray spectroscopy

KW - ab-initio calculations

KW - metalloporphyrins

KW - scanning probe microscopy

UR - https://www.scopus.com/pages/publications/85108294673

U2 - 10.1002/anie.202104075

DO - 10.1002/anie.202104075

M3 - Article

C2 - 33938629

AN - SCOPUS:85108294673

SN - 1433-7851

VL - 60

SP - 16561

EP - 16567

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 30

ER -

Conformational Control of Chemical Reactivity for Surface-Confined Ru-Porphyrins

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