Dynamics of vibronic intersystem crossing in lanthanide(III) complexes

Trivalent lanthanide complexes are highly desirable for use in state-of-the-art optical technologies. Tuning the luminescence of such compounds can be assessed by modulating the energy transfer. Energy transfer depends on the excited state population, where intersystem crossing is pivotal. Dynamics of vibronic ISC from ab-initio methods and local mode theory is a pioneering work. All results indicate the vibronic-driven nature of ultrafast ISC in such complexes. Local mode theory opens a pathway toward designing new compounds.