Molecular Recognition, Transient Chirality and Sulfur Hydrogen Bonding in the Benzyl Mercaptan Dimer
dc.contributor.author | Saragi, Rizalina Tama | |
dc.contributor.author | Juanes, Marcos | |
dc.contributor.author | Pinacho, Ruth | |
dc.contributor.author | Rubio García, José Emiliano | |
dc.contributor.author | Fernández González, José Andrés ![]() | |
dc.contributor.author | Lesarri, Alberto | |
dc.date.accessioned | 2021-12-01T11:34:00Z | |
dc.date.available | 2021-12-01T11:34:00Z | |
dc.date.issued | 2021-10-26 | |
dc.identifier.citation | Symmetry 13 (11) : (2021) // Article ID 2022 | es_ES |
dc.identifier.issn | 2073-8994 | |
dc.identifier.uri | http://hdl.handle.net/10810/54249 | |
dc.description.abstract | The homodimers of transiently chiral molecules offer physical insight into the process of molecular recognition, the preference for homo or heterochiral aggregation and the nature of the non-covalent interactions stabilizing the adducts. We report the observation of the benzyl mercaptan dimer in the isolation conditions of a supersonic jet expansion, using broadband (chirped-pulse) microwave spectroscopy. A single homochiral isomer was observed for the dimer, stabilized by a cooperative sequence of S-H···S and S-H···π hydrogen bonds. The structural data, stabilization energies and energy decomposition describe these non-covalent interactions as weak and dispersion-controlled. A comparison is also provided with the benzyl alcohol dimer. | es_ES |
dc.description.sponsorship | This research was funded by the Spanish Ministerio de Ciencia e Innovación MICINN-FEDER, grants numbers PGC2018-098561-B-C21 and PGC2018-098561-B-C22. The APC were funded by PGC2018-098561-B-C22. | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | MDPI | es_ES |
dc.relation | info:eu-repo/grantAgreement/MICINN/PGC2018-098561-B-C21 | es_ES |
dc.relation | info:eu-repo/grantAgreement/MICINN/PGC2018-098561-B-C22 | es_ES |
dc.rights | info:eu-repo/semantics/openAccess | es_ES |
dc.rights.uri | http://creativecommons.org/licenses/by/3.0/es/ | |
dc.subject | chiral recognition | es_ES |
dc.subject | transient chirality | es_ES |
dc.subject | non-covalent interactions | es_ES |
dc.subject | sulfur hydrogen bonding | es_ES |
dc.subject | rotational spectroscopy | es_ES |
dc.subject | jet spectroscopy | es_ES |
dc.title | Molecular Recognition, Transient Chirality and Sulfur Hydrogen Bonding in the Benzyl Mercaptan Dimer | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.date.updated | 2021-11-25T16:00:21Z | |
dc.rights.holder | 2021 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). | es_ES |
dc.relation.publisherversion | https://www.mdpi.com/2073-8994/13/11/2022/htm | es_ES |
dc.identifier.doi | 10.3390/sym13112022 | |
dc.departamentoes | Química física | |
dc.departamentoeu | Kimika fisikoa |
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Except where otherwise noted, this item's license is described as 2021 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).