Tuning the Photophysical Properties of anti-B18H22: Efficient Intersystem Crossing between Excited Singlet and Triplet States in New 4,4 '-(HS)(2)-anti-B18H20
2013
Abstract
The tuning of the photophysical properties of the highly fluorescent boron hydride cluster anti-B18H22 (1), by straightforward chemical substitution to produce 4,4'-(HS)(2)-anti-B18H20 (2), facilitates intersystem crossing from excited singlet states to a triplet manifold. This subsequently enhances O-2((1)Delta(g)) singlet oxygen production from a quantum yield of Phi(Delta) similar to 0.008 in 1 to 0.59 in 2.
This paper describes the synthesis and full structural characterization of the new compound 4,4'-(HS)(2)-anti-B18H20 (2) and uses UV-vis spectroscopy coupled with density functional theory (DFT) and ab initio computational studies to delineate and explain its photophysical properties.