TY - JOUR
T1 - [o-C2B10H10]3 as a trimer aggregate of spherical aromatic carboranes. Persistence and interplay between spherical aromatic states
AU - Rodriguez-Kessler, Peter L.
AU - Muñoz-Castro, Alvaro
N1 - Publisher Copyright:
© 2024 Elsevier B.V.
PY - 2025/1
Y1 - 2025/1
N2 - Envisaging cluster-based materials requires a fundamental understanding of the aggregation processes and resulting properties. The inherent spherical aromatic properties of carboranes trigger further evaluation of the persistence of such property in the resulting cluster aggregate. Here, we evaluated the formation of a trimeric species based on the neutral [o-C2B10H12] cluster on the [o-C2B10H10]3 form. The obtained results show that the inherent spherical aromatic characteristics of the constituent building units remain in the resulting trimer aggregate as three spherical aromatic states. Thus, cluster-based materials can be envisaged from stable spherical aromatic units, guiding further experimental realization of cluster-based aggregates.
AB - Envisaging cluster-based materials requires a fundamental understanding of the aggregation processes and resulting properties. The inherent spherical aromatic properties of carboranes trigger further evaluation of the persistence of such property in the resulting cluster aggregate. Here, we evaluated the formation of a trimeric species based on the neutral [o-C2B10H12] cluster on the [o-C2B10H10]3 form. The obtained results show that the inherent spherical aromatic characteristics of the constituent building units remain in the resulting trimer aggregate as three spherical aromatic states. Thus, cluster-based materials can be envisaged from stable spherical aromatic units, guiding further experimental realization of cluster-based aggregates.
KW - Aromaticity
KW - Carboranes
KW - Cluster-based materials
KW - Clusters
UR - http://www.scopus.com/inward/record.url?scp=85209133524&partnerID=8YFLogxK
U2 - 10.1016/j.cplett.2024.141752
DO - 10.1016/j.cplett.2024.141752
M3 - Article
AN - SCOPUS:85209133524
SN - 0009-2614
VL - 858
JO - Chemical Physics Letters
JF - Chemical Physics Letters
M1 - 141752
ER -