| dc.creator | Orellana, Carlos | |
| dc.creator | Mendizabal, Fernando | |
| dc.date | 2023-12-31 | |
| dc.date.accessioned | 2024-11-19T14:36:00Z | |
| dc.date.available | 2024-11-19T14:36:00Z | |
| dc.identifier | http://www.jcchems.com/index.php/JCCHEMS/article/view/2242 | |
| dc.identifier.uri | https://revistaschilenas.uchile.cl/handle/2250/246262 | |
| dc.description | Theoretical calculations were correlated to elucidate the interface interaction between thiol groups of host-guest systems and gold cluster. The 1-octanethiol molecule acts as guest into α-cyclodextrin host to form a supramolecular complex in which is stabilizing gold clusters. The intermolecular interaction and the vibrational frequencies nature between a host-guest system and gold cluster were elucidated by a theoretical point of view at the MP2, SCS-MP2, and PBE-D3 methods. It is showing a van der Waals interaction and a good vibrational frequencies correlation. | en-US |
| dc.format | application/pdf | |
| dc.language | eng | |
| dc.publisher | Sociedad Chilena de Química | en-US |
| dc.relation | http://www.jcchems.com/index.php/JCCHEMS/article/view/2242/616 | |
| dc.rights | Copyright (c) 2023 SChQ | en-US |
| dc.rights | https://creativecommons.org/licenses/by-nc-sa/4.0 | en-US |
| dc.source | Journal of the Chilean Chemical Society; Vol 68 No 3 (2023): Journal of the Chilean Chemical Society; 5945-5949 | en-US |
| dc.source | 0717-9707 | |
| dc.source | 0717-9324 | |
| dc.subject | gold-thiol interaction, gold cluster, dispersion, frequency, theoretical calculation | en-US |
| dc.title | THEORETICAL STUDY OF AU-S INTERACTION IN CLUSTERS MODELS OF A α-CYCLODEXTRIN COMPLEX | en-US |
| dc.type | info:eu-repo/semantics/article | |
| dc.type | info:eu-repo/semantics/publishedVersion | |
