Bučar, Dejan-Krešimir;
(2025)
Etter Revised: Graph-Set Analysis for Supramolecular Patterns in Molecular Crystals.
Angewandte Chemie - International Edition
, Article e16614. 10.1002/anie.202516614.
(In press).
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Abstract
A modification to Etter's graph-set notation for hydrogen-bond patterns in molecular crystals is proposed to enable the classification of supramolecular patterns based on any type of non-covalent interaction (such as hydrogen, halogen, chalcogen, pnictogen, and tetrel bonding). It is recommended that the modified notation be applied to supramolecular patterns based on interactions other than hydrogen bonds, while retaining the original notation for patterns based solely on hydrogen bonds.
| Type: | Article |
|---|---|
| Title: | Etter Revised: Graph-Set Analysis for Supramolecular Patterns in Molecular Crystals |
| Location: | Germany |
| DOI: | 10.1002/anie.202516614 |
| Publisher version: | https://doi.org/10.1002/anie.202516614 |
| Language: | English |
| Additional information: | This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions. |
| Keywords: | Crystal engineering, Graph sets, Molecular crystals, Non‐covalent interactions, Supramolecular chemistry |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10219215 |
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