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| Indexado |
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| DOI | 10.1039/D5CP01112D | ||||
| Año | 2025 | ||||
| Tipo | artículo de investigación |
Citas Totales
Autores Afiliación Chile
Instituciones Chile
% Participación
Internacional
Autores
Afiliación Extranjera
Instituciones
Extranjeras
This study investigate the structural, electronic, and reactivity properties of the aurocarbon C3H2Au+, C3HAu2+, and C3Au3+ clusters. A potential energy surface exploration indicates that the most stable isomers adopt cyclic structures, supporting the gold-hydrogen analogy in these cationic systems. These cyclic forms preserve the characteristic geometry of the cyclopropenyl cation, with covalent C-Au interactions confirmed by multiple bonding analyses. All three systems exhibit a delocalized 3c-2e pi-bond across the carbon ring, consistent with an aromatic behavior. The substitution of hydrogen by gold alters local reactivity patterns.
| Ord. | Autor | Género | Institución - País |
|---|---|---|---|
| 1 | Cerpa, Erick | - |
Inst Politecn Nacl - México
Instituto Politécnico Nacional - México |
| 2 | Vargas-Caamal, Alba | - |
Inst Politecn Nacl - México
Instituto Politécnico Nacional - México |
| 3 | Diego, Luz | - |
Universidad Nacional Andrés Bello - Chile
|
| 4 | Arias-Olivares, David | - |
Universidad Nacional Andrés Bello - Chile
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| 5 | Moreno, Diego V. | - |
Univ Ciencias Aplicadas & Ambientales UDCA - Colombia
Universidad de Ciencias Aplicadas y Ambientales - Colombia |
| 6 | Martinez-Araya, Jorge I. | - |
Universidad Nacional Andrés Bello - Chile
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| 7 | Islas, Rafael | - |
Universidad Nacional Andrés Bello - Chile
|
| 8 | Merino, Gabriel | Hombre |
Ctr Invest & Estudios - México
Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional - México |
| Fuente |
|---|
| FONDECYT |
| Fondo Nacional de Desarrollo Científico y Tecnológico |
| Agencia Nacional de Investigación y Desarrollo |
| National Agency for Research and Development |
| Agenția Națională pentru Cercetare și Dezvoltare |
| Fondo Nacional de Desarrollo Cientfico y Tecnolgico |
| Agradecimiento |
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| L. D. acknowledges National Agency for Research and Development (ANID)/Scholarship Program/becas doctorado nacional/2023-21231670 (L-D). J. I. M-A. acknowledges the financial support provided by FONDECYT grant no 1181504. |
| L. D. acknowledges National Agency for Research and Development (ANID)/Scholarship Program/becas doctorado nacional/2023-21231670 (L-D). J. I. M-A. acknowledges the financial support provided by FONDECYT grant no 1181504. |