Looking from different perspectives! Proper electronic structure of near-infrared absorbing functional dyes discovered: A big step toward the development of dyes with long-wavelength near-infrared absorption

Previously, near-infrared absorbing organic materials were treated as closed-shell molecules without unpaired electrons. However, a joint research group led by Associate Professor Takeshi Maeda, Assistant Professor Daisuke Sakamaki, and Professor Hideki Fujiwara from Osaka Metropolitan University discovered that near-infrared absorbing oxocarbon-based dyes have an intermediate state between closed-shell and open-shell electronic configurations. They also found that as the wavelengths of near-infrared light absorbed increase, so does the contribution of open-shell forms in the dye.

“We have clarified the proper electronic structure of near-infrared absorbing oxocarbon-based dyes that are regarded as pure closed-shell molecules. We hope that this will lead to advances in the molecular design, properties, functions, and applications of near-infrared absorbing dyes and to the development of new near-infrared absorbing organic materials that be used in society,” Professor Takeshi Maeda concluded.

The results were published in Chemical Science on January 16, 2023, and was selected as 2023 Chemical Science HOT Article Collection.

Other authors on the paper include: graduate student Taishi Oka, Assistant Professor Naoya Suzuki, Professor Shigeyuki Yagi from Osaka Metropolitan University, Dr. Kenji Kamada from National Institute of Advanced Industrial Science and Technology, and Mr. Tatsuki Konishi.