Cs[B3O3F2(OH)2]: discovery of a hydroxyfluorooxoborate guided by selective organic–inorganic transformation

Selective transformation between organic and inorganic systems is crucial but still remains a challenge. Herein, we demonstrated that selective organic-inorganic transformation is a simple but effective strategy to find new hydroxyfluorooxoborates. By replacing the [Ph4P]/[Ph3MeP] organic cations with Cs atoms, a new hydroxyfluorooxoborate Cs[B3O3F2(OH)2] with three-membered [B3O3F2(OH)2] clusters was synthesized. Theoretical analysis confirmed the effects of different components in the lattice of reported structure on the optical properties.