Benyei, A. C.; Stirling, A.; Bostai, B.; Lorincz, K.; Kotschy, A. published an article about the compound: 1,3-Dimesityl-1H-imidazol-3-ium tetrafluoroborate( cas:286014-53-7,SMILESS:CC1=C([N+]2=CN(C3=C(C)C=C(C)C=C3C)C=C2)C(C)=CC(C)=C1.F[B-](F)(F)F ).Formula: C21H25BF4N2. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:286014-53-7) through the article.
Detailed structural and computational investigations have been carried out to elucidate the unprecedented structural properties of NHC-derived tetrazinones. The provocative structural contradictions featured by this class of mols. as emerged from single crystal X-ray diffraction studies include the non-coplanar core ring system with an inter-ring C-C single bond indicating aromaticity but a pattern of bond alteration consistent with an overall quinoidal structure. Combination of periodic and gas-phase calculations identified two key factors affecting the overall structure. The first is a strong tendency to avoid cross-conjugation resulting in a coupled aromatic-quinoidal system whereas the second is the steric demand of the substituents determining the conformational behavior of the rings. The peculiar electron distribution yields remarkably large polarizations and dipole moments for these mols. which can be key in their potential applications.
In addition to the literature in the link below, there is a lot of literature about this compound(1,3-Dimesityl-1H-imidazol-3-ium tetrafluoroborate)Formula: C21H25BF4N2, illustrating the importance and wide applicability of this compound(286014-53-7).
Reference:
Bromide – Wikipedia,
bromide – Wiktionary