File Name : figure_s1.tif

Caption : figure s1. optimized structures to the finite structures (fractional node/linker with the vacant) in the s1 and t1 states. atoms are denoted with gray (carbon), light gray (hydrogen), red (oxygen), blue (nitrogen), light green (titanium), and yellow (sulfur) spheres.

File Name : figure_s2.tif

Caption : figure s2. frontier molecular orbitals (fmos) involve in the most intense singlet→singlet absorption transitions to the reported systems via tddft/b3lyp/def2-tzpp theory level. atoms are denoted with gray (carbon), light gray (hydrogen), red (oxygen), blue (nitrogen), green (titanium), and yellow (sulfur) spheres. isosurface contour values are set as 0.03.

File Name : figure_s3.tif

Caption : figure s3. fmos involve in the most intense singlet→singlet absorption transitions to the proposed systems via tddft/b3lyp/def2-tzpp theory level. atoms are denoted with gray (carbon), light gray (hydrogen), red (oxygen), blue (nitrogen), green (titanium), and yellow (sulfur) spheres. isosurface contour values are set as 0.03.