Azaboracyclooctatetraenes reveal that the different aspects of triplet state Baird?aromaticity are nothing but different

The Baird-aromaticity of BN/CC cyclooctatetraene isosteres (azaboracyclooctatetraenes) in their lowest triplet states (T1) has been explored through computations various aromaticity indices that describe the different aspects (magnetic, electronic, energetic and geometric). While (COT) is aromatic its T1 state following Baird's 4n rule, we now reveal degrees vary with aspect considered. thermodynamically most stable octagonal B4N4H8 isomer, having an alternating B N pattern (borazocine, B4N4COT-A), only weakly or nonaromatic according to electronic indices, while magnetic descriptors suggest it have about two thirds COT (3COT). extent intermediate also varies markedly strong 3B4N4COT-A can be linked symmetries orbitals involved virtual transitions from occupied unoccupied orbitals, which response a molecule external field. However, (response aromaticity) not related (intrinsic aromaticity), findings underline earlier observations on differences between phenomenon (or phenomena).