How the Molecular Packing Affects the Room Temperature Phosphorescence in Pure Organic Compounds: Ingenious Molecular Design, Detailed Crystal Analysis, and Rational Theoretical Calculations

doi:10.1002/adma.201606829

CORC > 武汉物理与数学研究所 > 中国科学院武汉物理与数学研究所 > 磁共振基础研究部

	How the Molecular Packing Affects the Room Temperature Phosphorescence in Pure Organic Compounds: Ingenious Molecular Design, Detailed Crystal Analysis, and Rational Theoretical Calculations
	Li, Conggang 3; Li, Qianqian 2; Xie, Yujun 2; Li, Zhen 2; Ge, Yuwei 3; Peng, Qian 1
刊名	ADVANCED MATERIALS
	2017-05-03
卷号	29 期号:17
DOI	10.1002/adma.201606829
文献子类	Article
英文摘要	Long-lived phosphorescence at room temperature (RTP) from pure organic molecules is rare. Recent research reveals various crystalline organic molecules can realize RTP with lifetimes extending to the magnitude of second. There is little research on how molecular packing affecting RTP. Three compounds are designed with similar optical properties in solution, but tremendously different solid emission characteristics. By investigating the molecular packing arrangement in single crystals, it is found that the packing style of the compact face to face favors of long phosphorescence lifetime and high photoluminescence efficiency, with the lifetime up to 748 ms observed in the crystal of CPM ((9H-carbazol-9-yl)(phenyl) methanone). Theoretical calculation analysis also reveals this kind of packing style can remarkably reduce the singlet excited energy level and prompt electron communication between dimers. Surprisingly, CPM has two very similar single crystals, labeled as CPM and CPM-A, with almost identical crystal data, and the only difference is that molecules in CPM-A crystal take a little looser packing arrangement. X-ray diffraction and cross-polarization under magic spinning C-13 NMR spectra double confirm that they are different crystals. Interestingly, CPM-A crystal shows negligible RTP compared to the CPM crystal, once again proving that the packing style is critical to the RTP property.
WOS关键词	CRYSTALLIZATION-INDUCED PHOSPHORESCENCE ; DUAL-EMISSIVE-MATERIALS ; ACHIEVING PERSISTENT ; AMBIENT CONDITIONS ; EXCITED-STATES ; LUMINESCENCE ; FLUORESCENCE ; CONJUGATION ; LUMINOGENS ; STIMULI
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
语种	英语
WOS记录号	WOS:000400344800030
资助机构	National Natural Science Foundation of China(21325416 ; National Natural Science Foundation of China(21325416 ; National Fundamental Key Research Program(2013CB834701) ; National Fundamental Key Research Program(2013CB834701) ; 51573140 ; 51573140 ; 21575156) ; 21575156) ; National Natural Science Foundation of China(21325416 ; National Natural Science Foundation of China(21325416 ; National Fundamental Key Research Program(2013CB834701) ; National Fundamental Key Research Program(2013CB834701) ; 51573140 ; 51573140 ; 21575156) ; 21575156)
内容类型	期刊论文
源URL	[http://ir.wipm.ac.cn/handle/112942/11444]
专题	武汉物理与数学研究所_磁共振基础研究部
作者单位	1.Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci, Key Lab Organ Solids, Beijing 100190, Peoples R China 2.Wuhan Univ, Dept Chem, Hubei Key Lab Organ & Polymer Optoelect Mat, Wuhan 430072, Peoples R China 3.Chinese Acad Sci, Wuhan Inst Phys & Math, China State Key Lab Magnet Resonance & Atom & Mol, Wuhan 430071, Peoples R China
推荐引用方式 GB/T 7714	Li, Conggang,Li, Qianqian,Xie, Yujun,et al. How the Molecular Packing Affects the Room Temperature Phosphorescence in Pure Organic Compounds: Ingenious Molecular Design, Detailed Crystal Analysis, and Rational Theoretical Calculations[J]. ADVANCED MATERIALS,2017,29(17).
APA	Li, Conggang,Li, Qianqian,Xie, Yujun,Li, Zhen,Ge, Yuwei,&Peng, Qian.(2017).How the Molecular Packing Affects the Room Temperature Phosphorescence in Pure Organic Compounds: Ingenious Molecular Design, Detailed Crystal Analysis, and Rational Theoretical Calculations.ADVANCED MATERIALS,29(17).
MLA	Li, Conggang,et al."How the Molecular Packing Affects the Room Temperature Phosphorescence in Pure Organic Compounds: Ingenious Molecular Design, Detailed Crystal Analysis, and Rational Theoretical Calculations".ADVANCED MATERIALS 29.17(2017).