B.Sc.(Hons), B. Math., 1985, University of Newcastle; Ph.D., 1989, Australian National University; Postdoctoral Research Fellow, IBM, 1989; Postdoctoral Associate, Yale University, 1990-1991.
Ref: Ang, S. J.; Chwee, T.S.; Wong, M. W. Does Halogen Bonding Promote Intersystem Crossing and Phosphorescence in Benzaldehyde? J. Phys. Chem. C 2018, 122, 12441-12447. Based on ab initio excited state calculations on two halogen bonding complexes, benzaldehyde···XF (X = Br and I), we elucidated the effect of halogen bonding (XB) on intersystem crossing (kISC) and phosphorescence (kPH) rates. Our results show that XB reduces the kISC of benzaldehyde and changes the character of T1 from which phosphorescence takes place. The XB induced phosphorescence is predicted. However, the generally accepted assumption that XB enhances spin-orbit coupling and kISC is oversimplified