Citation: GE Guo-Ping, WEI Chuan-Dong, LI Chun-Yan, LIANG Yun-Xiao, LIANG Hong-Ze. Syntheses, Crystal Structures and Photophysical Properties of a Blue Phosphorescent Iridium(Ⅲ) Pyrimidine Complex[J]. Chinese Journal of Inorganic Chemistry, ;2015, (4): 666-672. doi: 10.11862/CJIC.2015.104 shu

Syntheses, Crystal Structures and Photophysical Properties of a Blue Phosphorescent Iridium(Ⅲ) Pyrimidine Complex

1.
Faculty of Materials Science and Chemical Engineering, Ningbo University, Ningbo, Zhejiang 315211, China

Corresponding author: GE Guo-Ping,
Fund Project: 宁波市自然科学基金(No.2010A610164) (No.2010A610164)

An iridium(Ⅲ) complex of Ir(N4)(MDFPPM)₂ [MDFPPM=2-(2,4-difluorophenyl)-4,6-dimethylpyrimidine, N4=5-(2-Pridyl)-1H-tetrazole] has been prepared, and characterized by X-ray single crystal diffraction. The photophysical properties and energy-level structure of Ir(N4)(MDFPPM)₂ are studied by ultraviolet-visble (UV-Vis) absorption, fluorescence, cyclic voltammetry (CV), and time-dependent density functional theory (TD-DFT) calculation. X-ray diffraction studies have revealed that the complex belongs to monoclinic system with space group of P2₁/c. A theoretical calculation reveals that the HOMO of Ir(N4)(MDFPPM)₂ is mainly distributed on the iridium ion and the phenyl group of the cyclometalated ligand MDFPPM, while the LUMO is mainly centered on the pyrimidine group of the cyclometalated ligand MDFPPM. The highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) levels of Ir(N4)(MDFPPM)₂ are -5.98 and -3.22 eV, respectively. The complex of Ir(N4)(MDFPPM)₂ exhibits blue phosphorescent emission with a peak at 449, 480 and 513 nm in acetonitrile solution at 77 K, and with International Commission on Illumination (CIE) coordinates of (0.15, 0.23). CCDC: 1043237, Ir(N4)(MDFPPM)₂; 1043238, Ir(N4)(MDFPPM)₂·CH₂Cl₂.
- iridium(Ⅲ) complex;pyrimidine;phosphorescent material;OLED
1. [1]
  [1] Baldo M A, O'Brien D F, You Y, et al. Nature, 1998,395(6698):151-154
2. [2]
  [2] Carlson B, Phelan G D, Kaminsky W, et al. J. Am. Chem. Soc., 2002,124(47):14162-14172
3. [3]
  [3] Cheng Y M, Yeh Y S, Ho M L, et al. Inorg. Chem., 2005,44(13):4594-4603
4. [4]
  [4] Wu P C, Yu J K, Song Y H, et al. Organometallics, 2003,22(24):4938-4946
5. [5]
  [5] Moussa J, Wong K M C, Chamoreau L M, et al. Dalton. Trans., 2007(32):3526-3530
6. [6]
  [6] Kavitha J, Chang S Y, Chi Y, et al. Adv. Funct. Mater., 2005, 15(2):223-229
7. [7]
  [7] Brooks J, Babayan Y, Lamansky S, et al. Inorg. Chem., 2002, 41(12):3055-3066
8. [8]
  [8] Wiegmann B, Jones P G, Wagenblast G, et al. Organometallics, 2012,31(15):5223-5226
9. [9]
  [9] Chen X, Liao J L, Liang Y M, et al. J. Am. Chem. Soc., 2003,125(3):636-637
10. [10]
  [10] Lamansky S, Djarovich P, Murphy D, et al. J. Am. Chem. Soc., 2001,123(18):4304-4312
11. [11]
  [11] Holmes R J, Forrest S R, Tung Y J, et al. Appl. Phys. Lett., 2003,82(15):2422-2424
12. [12]
  [12] Ragni R, Plummer E A, Brunner K, et al. J. Mater. Chem., 2006,16(12):1161-1170
13. [13]
  [13] Lee S J, Park K M, Yang K, et al. Inorg. Chem., 2009,48(3): 1030-1037
14. [14]
  [14] Xu M, Zhou R, Wang G, et al. Inorg. Chim. Acta, 2008,361(8):2407-2412
15. [15]
  [15] Tokito S, Lijima T, Tsuzuki T, et al. Appl. Phys. Lett., 2003, 83:2459-2461
16. [16]
  [16] Byun Y, Jeon W S, Lee T W, et al. Dalton Trans., 2008(35): 4732-4741
17. [17]
  [17] Zhen Y, Eom S H, Chopra N, et al. Appl. Phys. Lett., 2008, 92(22):223301-223303
18. [18]
  [18] Yeh S J, Wu M F, Song C T, et al. Adv. Mater., 2005,17(3): 285-289
19. [19]
  [19] Mak C S K, Hayer A, Pascu S I, et al. Chem. Commun., 2005(7):4708-4710
20. [20]
  [20] Laskar I R, Hsu S F, Chen T M. Polyhedron, 2005,24:189-200
21. [21]
  [21] Kim S H, Jang J, Lee S J, et al. Thin Solid Films, 2008,517(2):722-726
22. [22]
  [22] Tamayo A B, Alleyne B D, Djurovich P I, et al. J. Am. Chem. Soc., 2003,125:7377-7387
23. [23]
  [23] Lo S C, Shipley C P, Bera R N, et al. Chem. Mater., 2006, 18:5119-5129
24. [24]
  [24] Chiu Y C, Hung J Y, Chi Y, et al. Adv. Mater., 2009,21(21): 2221-2225
25. [25]
  [25] Yang C H, Li S W, Chi Y, et al. Inorg. Chem., 2005,44(22): 7770-7780
26. [26]
  [26] Yang C H, Cheng Y M, Chi Y, et al. Angew. Chem, Int. Ed., 2007,46(14):2418-2421
27. [27]
  [27] Tsuboyama A, Mizutani H, Okada S, et al. Eur. Patent Appl., EP1191612. 2002.
28. [28]
  [28] Ge G P, Yu X H, Guo H Q, et al. Synth. Met., 2009,159(12):1178-1182
29. [29]
  [29] Lohse O, Thevenin P, Waldvogel E. Synlett, 1999(1):45-48
30. [30]
  [30] Sheldrick G M. SHELXS 97, Program for X-ray Crystal Structure Solution, University of Göttingen, 1997.
31. [31]
  [31] Sheldrick G M. SHELXL 97, Program for X-ray Crystal Structure Refinement, University of Göttingen, 1997.
32. [32]
  [32] Stagni S, Colella S, Palazzi A, et al. Inorg. Chem., 2008,47(22):10509-10521
33. [33]
  [33] Song Y H, Yeh S J, Chen C T, et al. Adv. Funct. Mater., 2004,14:1221-1224
34. [34]
  [34] Zhao Q, Liu S, Shi M, et al. Inorg. Chem., 2006,45:6152-6160
35. [35]
  [35] Sprouse S, King K A, Spellane P J, et al. J. Am. Chem. Soc., 1984,106:6647-6653
36. [36]
  [36] Zhao Q, Li L, Li F Y, et al. Chem. Commun., 2008(6):685-687
37. [37]
  [37] Huang K W, Wu H Z, Shi M, et al. Chem. Commun., 2009(10):1243-1245
38. [38]
  [38] Liu Y, Liu M S, Jen A K Y. Acta Polym., 1999,50(2/3):105-108
1. [1]
  Qiaowen CHANG , Ke ZHANG , Guangying HUANG , Nuonan LI , Weiping LIU , Fuquan BAI , Caixian YAN , Yangyang FENG , Chuan ZUO . Syntheses, structures, and photo-physical properties of iridium phosphorescent complexes with phenylpyridine derivatives bearing different substituting groups. Chinese Journal of Inorganic Chemistry, 2025, 41(2): 235-244. doi: 10.11862/CJIC.20240311
2. [2]
  Fuzheng Zhang , Chao Shi , Jiale Li , Fulin Jia , Xinyu Liu , Feiyang Li , Xinyu Bai , Qiuxia Li , Aihua Yuan , Guohua Xie . B-embedded narrowband pure near-infrared (NIR) phosphorescent iridium(Ⅲ) complexes and solution-processed OLED application. Chinese Chemical Letters, 2025, 36(1): 109596-. doi: 10.1016/j.cclet.2024.109596
3. [3]
  Aidang Lu , Yunting Liu , Yanjun Jiang . Comprehensive Organic Chemistry Experiment: Synthesis and Characterization of Triazolopyrimidine Compounds. University Chemistry, 2024, 39(8): 241-246. doi: 10.3866/PKU.DXHX202401029
4. [4]
  Ke QIAO , Yanlin LI , Shengli HUANG , Guoyu YANG . Advancements in asymmetric catalysis employing chiral iridium (ruthenium) complexes. Chinese Journal of Inorganic Chemistry, 2024, 40(11): 2091-2104. doi: 10.11862/CJIC.20240265
5. [5]
  Wenjing ZHANG , Xiaoqing WANG , Zhipeng LIU . Recent developments of inorganic metal complex-based photothermal materials and their applications in photothermal therapy. Chinese Journal of Inorganic Chemistry, 2024, 40(12): 2356-2372. doi: 10.11862/CJIC.20240254
6. [6]
  Xiaowei TANG , Shiquan XIAO , Jingwen SUN , Yu ZHU , Xiaoting CHEN , Haiyan ZHANG . A zinc complex for the detection of anthrax biomarker. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 1850-1860. doi: 10.11862/CJIC.20240173
7. [7]
  Hongling Yuan , Jialin Xie , Jiawei Wang , Jixiang Zhao , Jiayan Liu , Qing Feng , Wei Qi , Min Liu . Cyclic Olefin Copolymer (COC): The Agile Vanguard in the Realm of Materials. University Chemistry, 2024, 39(7): 294-298. doi: 10.12461/PKU.DXHX202311041
8. [8]
  Qilu DU , Li ZHAO , Peng NIE , Bo XU . Synthesis and characterization of osmium-germyl complexes stabilized by triphenyl ligands. Chinese Journal of Inorganic Chemistry, 2024, 40(6): 1088-1094. doi: 10.11862/CJIC.20240006
9. [9]
  Haitang WANG , Yanni LING , Xiaqing MA , Yuxin CHEN , Rui ZHANG , Keyi WANG , Ying ZHANG , Wenmin WANG . Construction, crystal structures, and biological activities of two Ln^Ⅲ₃ complexes. Chinese Journal of Inorganic Chemistry, 2024, 40(8): 1474-1482. doi: 10.11862/CJIC.20240188
10. [10]
  Wei Li , Ze Chang , Meihui Yu , Ying Zhang . Curriculum Ideological and Political Design of Piezoelectricity Measurement Experiments of Coordination Compounds. University Chemistry, 2024, 39(2): 77-82. doi: 10.3866/PKU.DXHX202308004
11. [11]
  Ji Qi , Jianan Zhu , Yanxu Zhang , Jiahao Yang , Chunting Zhang . Visible Color Change of Copper (II) Complexes in Reversible SCSC Transformation: The Effect of Structure on Color. University Chemistry, 2024, 39(3): 43-57. doi: 10.3866/PKU.DXHX202307050
12. [12]
  Cunling Ye , Xitong Zhao , Hongfang Wang , Zhike Wang . A Formula for the Calculation of Complex Concentrations Arising from Side Reactions and Its Applications. University Chemistry, 2024, 39(4): 382-386. doi: 10.3866/PKU.DXHX202310043
13. [13]
  Keweiyang Zhang , Zihan Fan , Liyuan Xiao , Haitao Long , Jing Jing . Unveiling Crystal Field Theory: Preparation, Characterization, and Performance Assessment of Nickel Macrocyclic Complexes. University Chemistry, 2024, 39(5): 163-171. doi: 10.3866/PKU.DXHX202310084
14. [14]
  Tianyun Chen , Ruilin Xiao , Xinsheng Gu , Yunyi Shao , Qiujun Lu . Synthesis, Crystal Structure, and Mechanoluminescence Properties of Lanthanide-Based Organometallic Complexes. University Chemistry, 2024, 39(5): 363-370. doi: 10.3866/PKU.DXHX202312017
15. [15]
  Qingjun PAN , Zhongliang GONG , Yuwu ZHONG . Advances in modulation of the excited states of photofunctional iron complexes. Chinese Journal of Inorganic Chemistry, 2025, 41(1): 45-58. doi: 10.11862/CJIC.20240365
16. [16]
  Linjie ZHU , Xufeng LIU . Electrocatalytic hydrogen evolution performance of tetra-iron complexes with bridging diphosphine ligands. Chinese Journal of Inorganic Chemistry, 2025, 41(2): 321-328. doi: 10.11862/CJIC.20240207
17. [17]
  Xiaotian ZHU , Fangding HUANG , Wenchang ZHU , Jianqing ZHAO . Layered oxide cathode for sodium-ion batteries: Surface and interface modification and suppressed gas generation effect. Chinese Journal of Inorganic Chemistry, 2025, 41(2): 254-266. doi: 10.11862/CJIC.20240260
18. [18]
  Jingjing QING , Fan HE , Zhihui LIU , Shuaipeng HOU , Ya LIU , Yifan JIANG , Mengting TAN , Lifang HE , Fuxing ZHANG , Xiaoming ZHU . Synthesis, structure, and anticancer activity of two complexes of dimethylglyoxime organotin. Chinese Journal of Inorganic Chemistry, 2024, 40(7): 1301-1308. doi: 10.11862/CJIC.20240003
19. [19]
  Liang TANG , Jingfei NI , Kang XIAO , Xiangmei LIU . Synthesis and X-ray imaging application of lanthanide-organic complex-based scintillators. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 1892-1902. doi: 10.11862/CJIC.20240139
20. [20]
  Yongpo Zhang , Xinfeng Li , Yafei Song , Mengyao Sun , Congcong Yin , Chunyan Gao , Jinzhong Zhao . Synthesis of Chlorine-Bridged Binuclear Cu(I) Complexes Based on Conjugation-Driven Cu(II) Oxidized Secondary Amines. University Chemistry, 2024, 39(5): 44-51. doi: 10.3866/PKU.DXHX202309092

Get Citation

PDF

XML

Metrics

PDF Downloads(0)
Abstract views(484)
HTML views(71)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142