Accurate Control of Deuterated Locations and Amount of Deep Blue Ir(dfpypy)2pic for Phosphorescent Efficiency Enhancement: Evaluations from Theoretical Aspect

doi:10.1007/s40242-018-8086-1

Chemical Research in Chinese Universities ›› 2018, Vol. 34 ›› Issue (5): 781-785.doi: 10.1007/s40242-018-8086-1

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Accurate Control of Deuterated Locations and Amount of Deep Blue Ir(dfpypy)₂pic for Phosphorescent Efficiency Enhancement: Evaluations from Theoretical Aspect

Xiaoyu¹, WANG Yu², FAN Yong¹, BAI Fuquan², XU Jianing¹

1. College of Chemistry, Jilin University, Changchun 130012, P. R. China;
2. International Joint Research Laboratory of Nano-micro Architecture Chemistry, Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130021, P. R. China

Received:2018-03-19 Revised:2018-06-04 Online:2018-10-01 Published:2018-08-03
Contact: FAN Yong,Email:mrfy@jlu.edu.cn;XU Jianing,Email:xujn@jlu.edu.cn E-mail:mrfy@jlu.edu.cn;xujn@jlu.edu.cn
Supported by:
Supported by the National Natural Science Foundation of China(No.21171065) and the Young Scholar Training Program of Jilin University, China.

Abstract

Abstract: A well-known deep-blue emitting iridium(Ⅲ) complex was selected for deuterium isotope effect evaluation, both on deuterated locations and numbers, through theoretical investigation. It was revealed that the containment of the d site deuteriation of ancillary ligand picolinate enabled the non-radiative deactivation process to be repessed, and thereby improving the quantum efficiency through such a simple and controllable approach.

Key words: Organic light-emitting diode (OLED), Ir (Ⅲ) complex, Time-dependent density functional theory (TD-DFT), Excited state, Deuteriation strategy

Xiaoyu, WANG Yu, FAN Yong, BAI Fuquan, XU Jianing. Accurate Control of Deuterated Locations and Amount of Deep Blue Ir(dfpypy)₂pic for Phosphorescent Efficiency Enhancement: Evaluations from Theoretical Aspect[J]. Chemical Research in Chinese Universities, 2018, 34(5): 781-785.

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Accurate Control of Deuterated Locations and Amount of Deep Blue Ir(dfpypy)₂pic for Phosphorescent Efficiency Enhancement: Evaluations from Theoretical Aspect

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