TY - JOUR
AU1 - Islas, Rafael
AU2 - Oyarzún, Diego
AU3 - Cantero-López, Plinio
AB - Inspired by carbo-benzene and its inorganic analogues, in the current work, the viability of extended systems (called carbomers) formed from aromatic small rings was studied. The aluminum aromatic cluster, Al4
2−, and its isoelectronic carbon analogue, C4
2+, were employed as starting point. The insertion of alkynyl units into the Al–Al and C–C bonds results in the extended molecules named carbomers. These molecules were compared with the global minima structures, which were searched employing the genetic algorithm program, GEGA. The electronic delocalization (aromaticity) of the isomers was studied with the induced magnetic field (B
ind). The results showed that global minimum of C12
2+ (formed from C4
2+) was an unexpected diatropic structure which presented a similar magnetic response to the C4
2+ cluster. Also, optical properties of C12
2+ were computed.
TI - Analysis of the aromaticity in extended systems formed from isoelectronic Al4
2− and C4
2+ aromatic clusters
JF - Structural Chemistry
DO - 10.1007/s11224-018-1120-6
DA - 2018-05-15
UR - https://www.deepdyve.com/lp/springer-journals/analysis-of-the-aromaticity-in-extended-systems-formed-from-HydXxd092p
SP - 1383
EP - 1395
VL - 29
IS - 5
DP - DeepDyve