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Conformational Control of Chemical Reactivity for Surface‐Confined Ru‐Porphyrins
Author(s) -
Knecht Peter,
Reichert Joachim,
Deimel Peter S.,
Feulner Peter,
Haag Felix,
Allegretti Francesco,
Garnica Manuela,
Schwarz Martin,
Auwärter Willi,
Ryan Paul T. P.,
Lee TienLin,
Duncan David A.,
Seitsonen Ari Paavo,
Barth Johannes V.,
Papageorgiou Anthoula C.
Publication year - 2021
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.202104075
Subject(s) - chemistry , scanning tunneling microscope , density functional theory , reactivity (psychology) , chemical physics , x ray photoelectron spectroscopy , substrate (aquarium) , crystallography , nanotechnology , computational chemistry , materials science , nuclear magnetic resonance , medicine , alternative medicine , physics , oceanography , pathology , geology
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.