速報
N3系色素の近赤外線光吸収の理論的設計:スピン禁制励起
2016 年 15 巻 3 号 p. 77-78
詳細
2016 年 15 巻 3 号 p. 77-78
We theoretically examine spin-forbidden excitations for an N3-skeleton Ru dye with a thienyl group and iodine anion by time-dependent density functional theory with spin-orbit coupling. We found that the oscillator strength in the near-infrared region and spin-orbit coupling are enhanced by introducing the thienyl group into bipirydyl ligands.
