Muestra métricas de impacto externas asociadas a la publicación. Para mayor detalle:
| Indexado |
|
||||
| DOI | 10.1021/ACSOMEGA.4C09769 | ||||
| Año | 2025 | ||||
| Tipo | artículo de investigación |
Citas Totales
Autores Afiliación Chile
Instituciones Chile
% Participación
Internacional
Autores
Afiliación Extranjera
Instituciones
Extranjeras
In the current work, the impact of the orientation of the BN units in some proposed isomers of iminobora-benzene (B6C6N6H6) is analyzed. The analysis is oriented toward determining whether the orientation plays an important role in electronic delocalization (aromaticity). The alternation of the BN units generates several isomers, which were built arbitrarily and systematically with the main goal of measuring their respective electronic delocalization. For the analysis of aromaticity, multiple methodologies (AdNDP, AV1245, AVmin, ELF, LOL, MICD, and B ind) were employed, all of which produced consistent trends. Moreover, the alternation of the BN units affects not only electronic delocalization but also relative stability, with relative energy values of up to 85 kcal/mol observed among the isomers. Interestingly, the most aromatic isomer is the least stable isomer, while the most stable isomer is, with some methodologies, the least aromatic.
| Ord. | Autor | Género | Institución - País |
|---|---|---|---|
| 1 | Diego, Luz | - |
Universidad Nacional Andrés Bello - Chile
|
| 2 | Arias-Olivares, David | - |
Universidad Nacional Andrés Bello - Chile
|
| 3 | Moreno, Diego V. | - |
Univ Ciencias Aplicadas & Ambientales UDCA - Colombia
Universidad de Ciencias Aplicadas y Ambientales - Colombia |
| 4 | Cerpa, Erick | - |
Inst Politecn Nacl - México
Instituto Politécnico Nacional - México |
| 5 | Islas, Rafael | - |
Universidad Nacional Andrés Bello - Chile
|
| Fuente |
|---|
| Agencia Nacional de Investigación y Desarrollo |
| National Agency for Research and Development |
| Agencia Nacional de Investigaci?n y Desarrollo |
| Agenția Națională pentru Cercetare și Dezvoltare |
| Agradecimiento |
|---|
| L.D. acknowledges the National Agency for Research and Development (ANID)/Scholarship Program/becas doctorado nacional/2023-21231670 (L.D.). |
| L.D. acknowledges the National Agency for Research and Development (ANID)/Scholarship Program/becas doctorado nacional/2023-21231670 (L.D.). |