Xin‐Yu Dai

Structure, Stability, Spectroscopy and Chemical Bonding Analyses on the Novel X 6 (X = N, P, As, Sb, Bi) Molecules

ABSTRACT Inspired by the successful synthesis of zig‐zag C 2h ‐N 6 ( Nature 2025 , 642, 356–360), we systematically explored the structure, stability, infrared spectroscopy, chemical bonding and weak interaction of novel X 6 (X = N, P, As, Sb, Bi) molecules using relativistic DFT...