29 citations · 55 across the 11 of their papers we have counts for
11 papers
Selectivity in tip-induced skeletal editing via heteroatom substitution
Shantanu Mishra, Rasmus Svensson, Valentina Malave +5
Skeletal editing enables precise structural modifications of molecules at late stages of a synthetic sequence, with applications in drug discovery and materials science. We recentl…
On-surface synthesis and aromaticity of large cyclocarbons
Lisanne Sellies, Marco Vitek, Yueze Gao +12
Molecular rings of N carbon atoms, that is, cyclo[N]carbons, or C, can be formed by tip-induced chemistry [1-7]. Because of their monocyclic geometry, cyclocarbons are fundamen…
Exploring pathways towards quantum advantage in quantum chemistry: the case of a molecule with half-Möbius topology
Samuele Piccinelli, Stefano Barison, Alberto Baiardi +8
We report quantum chemistry calculations performed on superconducting quantum processors for a molecule exhibiting the half-Möbius electronic topology originally introduced by Ronč…
Skeletal editing by tip-induced chemistry
Shantanu Mishra, Valentina Malave, Rasmus Svensson +4
Skeletal editing of cyclic molecules has garnered considerable attention in the context of drug discovery and green chemistry, with notable examples in solution-phase synthesis. He…
The multiconfigurational ground state of a diradicaloid characterized at the atomic scale
Elia Turco, Lara Tejerina, Gonçalo Catarina +5
We report the tip-induced generation and scanning probe characterization of a singlet diradicaloid, consisting of two phenalenyl units connected by an sp-hybridized C chain,…
A molecule with half-Möbius topology
Igor Roncevic, Fabian Paschke, Yueze Gao +10
Stereoisomers of CCl exhibiting helical orbitals around a ring of carbon atoms were synthesized by atom manipulation on NaCl surfaces. We resolved the enantiomeric geome…
Tip-induced nitrene generation
Leonard-Alexander Lieske, Aaron H. Oechsle, Igor Rončević +6
We generated trinitreno-s-heptazine, a small molecule featuring three nitrene centers, by tip-induced chemistry from the precursor 2,5,8-triazido-s-heptazine on bilayer NaCl on Au(…
Synthesis and characterization of a -extended Clar's goblet
Shantanu Mishra, Manuel Vilas-Varela, Igor Rončević +4
Concealed non-Kekulé polybenzenoid hydrocarbons have no sublattice imbalance yet cannot be assigned a classical Kekulé structure, leading to an open-shell ground state with potenti…
A Route Toward the On-Surface Synthesis of Organic Ferromagnetic Quantum Spin Chains
Fabian Paschke, Ricardo Ortiz, Shantanu Mishra +5
Engineering sublattice imbalance is an intuitive way to induce high-spin ground states in bipartite polycyclic conjugated hydrocarbons (PCHs). Such high-spin molecules can be emplo…
Observation of SOMO-HOMO inversion in a polycyclic conjugated hydrocarbon
Shantanu Mishra, Manuel Vilas-Varela, Shadi Fatayer +3
We report the generation of a non-benzenoid polycyclic conjugated hydrocarbon, which consists of a biphenyl moiety substituted by indenyl units at the 4,4' positions, on ultra-thin…
Intramolecular coupling of terminal alkynes by atom manipulation
Florian Albrecht, Dulce Rey, Shadi Fatayer +4
Glaser-like coupling of terminal alkynes by thermal activation is extensively used in on-surface chemistry. Here we demonstrate an intramolecular version of this reaction performed…