Algorithm-aided engineering of aliphatic halogenase WelO5* for the asymmetric late-stage functionalization of soraphens

Autor: Johannes Büchler, Sumire Honda Malca, David Patsch, Moritz Voss, Nicholas J. Turner, Uwe T. Bornscheuer, Oliver Allemann, Camille Le Chapelain, Alexandre Lumbroso, Olivier Loiseleur, Rebecca Buller

Publikováno v: Nature Communications, Vol 13, Iss 1, Pp 1-11 (2022)

The late-stage functionalization of unactivated carbon–hydrogen bonds is a difficult but important task, which has been met with promising but limited success through synthetic organic chemistry. Here the authors use machine learning to engineer We

Externí odkaz: https://doaj.org/article/b0080e192c1f4807837af8d63df4a6df

Chiral Atropisomeric Indenocorannulene Bowls: Critique of the Cahn–Ingold–Prelog Conception of Molecular Chirality

Autor: Anthony Linden, Oliver Allemann, T. Silviu Balaban, Kim K. Baldridge, Jay S. Siegel, Nicolas Vanthuyne, Yujia Wang

Publikováno v: Angewandte Chemie International Edition
Angewandte Chemie International Edition, Wiley-VCH Verlag, 2018, 57 (22), pp.6470-6474. ⟨10.1002/anie.201801325⟩
Angewandte Chemie International Edition, 2018, 57 (22), pp.6470-6474. ⟨10.1002/anie.201801325⟩

International audience; Chiral corannulenes abound, but suffer generally from configurational lability associated with bowl-to-bowl inversion, [1] thus obviating questions of stereogenicity and stereoelement construction. [2] In contrast, peri-annula

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9f9bd6f2005e08814d553bd2a746409e
https://doi.org/10.1002/ange.201801325

1,2,3- versus 1,2-Indeno Ring Fusions Influence Structure Property and Chirality of Corannulene Bowls

Autor: Oliver Allemann, Jay S. Siegel, Nicolas Vanthuyne, Kim K. Baldridge, Jun Xu, Loïc M. Roch, Shi Liu

Publikováno v: Journal of Organic Chemistry
Journal of Organic Chemistry, 2018, 83 (7), pp.3979-3986. ⟨10.1021/acs.joc.8b00320⟩
Journal of Organic Chemistry, American Chemical Society, 2018, 83 (7), pp.3979-3986. ⟨10.1021/acs.joc.8b00320⟩

International audience; Annulated corannulenes 3−5 form via distinct synthetic pathways: (i) Pd-catalyzed sp 3 CH insertion, (ii) Pd-catalyzed aryl coupling, and (iii) silyl cation-promoted C−F activation/CH insertion. Crystal structure, redox, a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4e9e98ac6db0953ee68e14bd089bb736
https://hal.science/hal-02092305

Pauli Repulsion Versus van der Waals: Interaction of Indenocorannulene with a Cu(111) Surface

Autor: Kim K. Baldridge, Anaïs Mairena, Quirin S. Stöckl, Jay S. Siegel, Karl-Heinz Ernst, Laura Zoppi, Oliver Allemann

Publikováno v: The journal of physical chemistry. B. 122(2)

Modification of metal electrode surfaces with functional organic molecules is an important step toward organic electronics. The interaction of the buckybowl indenocorannulene with a Cu(111) surface and the two-dimensional self-assembly on the same su

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2dba7c9c1e53dcdce3099126c5612cd3
https://pubmed.ncbi.nlm.nih.gov/28906118

Correction to 'Chiral Conflict among Different Helicenes Suppresses Formation of One Enantiomorph in 2D Crystallization'

Autor: Oliver Allemann, Jay S. Siegel, Johannes Seibel, Karl-Heinz Ernst

Publikováno v: Journal of the American Chemical Society. 141:6108-6108

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bada0703db4655300cf34830c18531a7
https://doi.org/10.1021/jacs.9b03114