Structural evolution and gas-induced electronic, vibrational, and magnetic responses in Mo-centered boron nanoclusters

quenches its intrinsic magnetic anisotropy, directly linking chemical binding to spin-orbit-driven magnetic behavior. These results establish Mo-centered boron wheels and drums as multifunctional nanoscale building blocks that integrate structural tunability, electronic selectivity, vibrational detectability, and magnetic responsiveness within a single borometallic framework.