bpmp |
2,6-bis(2-pyridylmethyl)pyridine |
CASPT2 |
complete-active-space second-order perturbation theory |
CASSCF |
complete-active-space self-consistent field |
cpmp |
6,2″-carboxypyridyl-2,2′-methylamine-pyridyl-pyridine |
ddpd |
N,N′-dimethyl-N,N′-dipyridine-2-ylpyridine-2,6-diamine |
dqp |
2,6-di(quinolin-8-yl)-pyridine |
FTIR |
Fourier transform infrared (spectroscopy) |
ISC |
intersystem crossing |
LFS |
ligand-field splitting |
LVC |
linear vibronic coupling |
SH |
surface hopping |
TAS |
transient absorption spectroscopy |
TDDFT |
time-dependent density functional theory |