Theoretical investigation on the effect of ancillary ligand modification for highly efficient phosphorescent platinum(ii) complex design

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RSC Adv., 2017, 7, 17368
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Theoretical study on photophysical properties of three high water solubility polypyridyl complexes for two-photon photodynamic therapy

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Phys. Chem. Chem. Phys., 2018, 20, 18074
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A cyclometalated (C^C*) platinum(ii) NHC complex decorated via different carboranes to tune the photodeactivation mechanism: a theoretical investigation

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RSC Adv., 2016, 6, 113513
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Theoretical study and design of cyclometalated platinum complexes bearing innovatively a highly-rigid terdentate ligand with carboranyl as a chelating unit

Yanyan Xu, Yafei Luo, Wenting Zhang, Wenqian Li, Ming Li and Wei Shen

RSC Adv., 2016, 6, 78241
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A series of blue phosphorescent iridium complexes with thermally activated delayed fluorescence and efficiency roll-off properties

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RSC Adv., 2024, 14, 36895
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From luminescence quenching to high-efficiency phosphorescence: a theoretical study on the monomeric and dimeric forms of platinum(ii) complexes with both 2-pyridylimidazol-2-ylidene and bipyrazolate chelates

Bo-Hua Zhang, Jun-An Li, Min Wang, Ai-Min Ren, Teng-Fei He, Pan-Pan Lin, Yun-Li Zhang, Xiao-Yue Xi and Lu-Yi Zou

Phys. Chem. Chem. Phys., 2021, 23, 5652
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Photophysical properties of Pt(ii) complexes based on the benzoquinoline (bzq) ligand with OLED implication: a theoretical study

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RSC Adv., 2024, 14, 20278
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DFT/TD-DFT study of electronic and phosphorescent properties in cycloplatinated complexes: implications for OLEDs

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RSC Adv., 2022, 12, 34217
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Encapsulation of multi-stimuli AIE active platinum(ii) complex: a facile and dry approach for luminescent mesoporous silica

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RSC Adv., 2016, 6, 87791
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Isoelectronic Pt(ii) complexes of cyclometalating C^N^N ligands with phenyl/(benzo)thiophenyl and pyridyl/(benzo)thiazolyl moieties

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A theory study based on DFT/TD‐DFT for a series of Ir(III) complexes with the low‐efficiency roll‐off and the high‐inter‐system crossover rate properties

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Int J of Quantum Chemistry, 2024, 124
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A theoretical study on blue‐green phosphorescent iridium (III) complexes with low‐efficiency roll‐off properties

Hao‐Yuan Chi, Guo‐Qing Xi, Xiang Liu, Hai‐Han Zhang, Ye Ji, Xu‐Hui Liu, Ming‐Xing Song, Yong‐Ling Zhang, Zheng‐Kun Qin and Hong‐Jie Zhang

J of Physical Organic Chem, 2023, 36
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Charge transport properties of pyrene and its derivatives: optoelectronic and nonlinear optical applications

U. Reeta Felscia, Beulah J. M. Rajkumar and M. Briget Mary

J Mater Sci, 2018, 53, 15213
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Theoretical insights into the electronic structure and photophysical properties of a series of tetranuclear Cu(I) complexes

Jing Gao, Wancheng Chang, Guangying Chen, Deming Han, Dandan Lv, Jia Guo, Chaoqiong Jiang and Xiaohong Shang

Can. J. Chem., 2025, 103, 503
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Density Functional Calculation and Evaluation of the Spectroscopic Properties and Luminescent Material Application Potential of the N-Heterocyclic Platinum(II) Tetracarbene Complexes

Bao-Hui Xia, Yin-Si Ma and Fu-Quan Bai

Molecules, 2024, 29, 524
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Neutral Pt(II) complexes containing diazafluorene derivative ligands and their electroluminescent properties

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Inorganic Chemistry Communications, 2022, 137, 109170
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Excited state intersystem crossing and the relaxation dynamics of phosphorescent Ir(III) complexes bearing bipyridine-based C^N ligand

Yanyan Xu, Jian Wang, Wenting Zhang, Wenqian Li and Wei Shen

Journal of Photochemistry and Photobiology A: Chemistry, 2017, 346, 225
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Cyclometallated 1,2,3-triazol-5-ylidene iridium(III) complexes: synthesis, structure, and photoluminescence properties

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Mendeleev Communications, 2019, 29, 128
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Series of blue phospho‐iridium complexes with m‐filled phenyl imidazole ligands studied by density functional theory and time‐dependent density functional theory

Ming‐Xing Song, Hao‐Yuan Chi, Guo‐Qing Xi, Peng Lü, Ke‐Chuan He, Zheng‐Kun Qin, Yong‐Ling Zhang, Shi‐Quan Lü and Hong‐Jie Zhang

J of Physical Organic Chem, 2020, 33
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Tetradentate Pt(II) Phosphors: A Computational Analysis of Nonradiative Decay Rates and Luminescence Efficiency

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J. Phys. Chem. C, 2020, 124, 12039
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Improved Operational Stability of Blue Phosphorescent OLEDs by Functionalizing Phenyl‐Carbene Groups of Tetradentate Pt(II) Complexes

Guijie Li, Lydia Ameri, Blake Dorame, Zhi‐Qiang Zhu and Jian Li

Adv Funct Materials, 2024, 34
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Hydrolysis of the amide bond in histidine- and methionine-containing dipeptides promoted by pyrazine and pyridazine palladium(II)-aqua dimers: Comparative study with platinum(II) analogues

Marija D. Živković, Snežana Rajković, Biljana Đ. Glišić, Nenad S. Drašković and Miloš I. Djuran

Bioorganic Chemistry, 2017, 72, 190
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Heat‐Resistant Properties in the Phosphorescence of trans‐Bis[β‐(iminomethyl)aryloxy]platinum(II) Complexes: Effect of Aromaticity on d–π Conjugation Platforms

Ryo Inoue, Masaya Naito, Masahiro Ehara and Takeshi Naota

Chemistry A European J, 2019, 25, 3650
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Design of new visible light Pt photocatalyst based on the TDDFT study of properties of transition metal complexes

Mingyang Jiao, Beibei Zhang, Zichen Wang and Bo‐Zhen Chen

Applied Organom Chemis, 2022, 36
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DFT studies on the ligand effect on electronic and optical properties of three series of functionalized Ir(III) complexes

Shujie Liu, Yangen Li, Xiaoying Hu, Xiangdong Liu and Bo Guan

Journal of Molecular Structure, 2018, 1151, 49
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N-Heterocyclic Carbene-Based Tetradentate Platinum(II) Complexes for Deep-Blue Phosphorescent Emitters: Safe Synthesis and Photophysical Study

Kewei Xu, Jianbing Zheng, Yuanbin She and Guijie Li

Inorg. Chem., 2026, 65, 8585
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New design of two series of Ir(Ⅲ) complexes by changing substitute group at main ligand or ancillary ligand from theoretical viewpoint

Jing Gao, Xin Li, Deming Han, Jiawei Li and Xiaohong Shang

Synthetic Metals, 2019, 258, 116205
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Platinum and palladium complexes of tridentate −C^N^N (phen-ide)-pyridine-thiazol ligands – A case study involving spectroelectrochemistry, photoluminescence spectroscopy and TD-DFT calculations

Maren Krause, René von der Stück, Dana Brünink, Stefan Buss, Nikos L. Doltsinis, Cristian A. Strassert and Axel Klein

Inorganica Chimica Acta, 2021, 518, 120093
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Theoretical insight into the photodeactivation pathway of the tetradentate Pt(II) complex: The π‐conjugation effect

Ke Zuo, Yafei Luo, Xin Sun, Wei Shen, Dianyong Tang and Jianping Hu

Applied Organom Chemis, 2018, 32
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Blue phosphorescent platinum(II) complexes based on tetradentate ligand with rigid and highly distorted linkage for efficient organic light-emitting diodes

Jisu Kang, Seung Chan Kim, Jun Yeob Lee and Youngjin Kang

Dyes and Pigments, 2022, 207, 110770
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Investigate the Relationship between Structure and Triplet Potential Energy Surface to Control the Phosphorescence Quantum Yield of Platinum(II) Complex: A Theoretical Investigation

Yafei Luo, Yu Guo, Xuecen Shou, Zhongzhu Chen, Zhigang Xu and Dianyong Tang

Inorg. Chem., 2022, 61, 9162
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Exploring the optoelectronic and charge transport properties of Pechmann dyes as efficient OLED materials

Nuha Wazzan and Ahmad Irfan

Optik, 2019, 197, 163200
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Metal-Assisted Delayed Fluorescent Pd(II) Complexes and Phosphorescent Pt(II) Complex Based on [1,2,4]Triazolo[4,3-a]pyridine-Containing Ligands: Synthesis, Characterization, Electrochemistry, Photophysical Studies, and Application

Guijie Li, Qidong Chen, Jianbing Zheng, Qunmin Wang, Feng Zhan, Weiwei Lou, Yun-Fang Yang and Yuanbin She

Inorg. Chem., 2019, 58, 14349
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Theoretical study on a series of Blue-Green Ir(III) complexes used in OLED

Hao-Yuan Chi, Guo-Qing Xi, Xue-Ming Zhao, Shao-Jun Qu, Xiang Liu, Ye Ji, Ming-Xing Song, Yong-Ling Zhang, Zheng-Kun Qin and Hong-Jie Zhang

Molecular Physics, 2023, 121
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Density functional theory and time-dependent density functional study a series of iridium complexes with low-efficiency roll-off properties

Zheng-Kun Qin, Hao-Yuan Chi, Guo-Qing Xi, Xiang Liu, Ming-Xing Song, Jia Wang, Yong-Ling Zhang, Shi-Quan Lü and Hong-Jie Zhang

Molecular Physics, 2020, 118, e1718229
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Computational Studies on the Materials Combining Graphene Quantum Dots and Pt Complexes with Adjustable Luminescence Characteristics

Shi-Ping Wang, Yuan Li, Zhi-Xiang Zhang, Yu Zhang, Yu Wang, Si-Min Kong, Hui-Cong Li, Wei Jian, Fu-Quan Bai and Hong-Xing Zhang

Inorg. Chem., 2021, 60, 1480
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Theoretical study on luminescence properties of a series of iridium complexes with high spin orbit coupling coefficients

Zheng‐Kun Qin, Jia‐Yu Yang, Xi‐Lian Guo, Ye Ji, Yun‐Kai Zhang, Zi‐Cong Pan, Mei‐Qi Wang and Ming‐Xing Song

J of Physical Organic Chem, 2023, 36
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The “Enders Triazole” Revisited: Highly Efficient, Blue Platinum(II) Emitters

Johannes Soellner and Thomas Strassner

Organometallics, 2018, 37, 1821
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Blue Phosphorescent Pt(II) Compound Based on Tetradentate Carbazole/2,3′-Bipyridine Ligand and Its Application in Organic Light-Emitting Diodes

Hakjo Kim, Chan-Hee Ryu, Miso Hong, Kang Mun Lee, Unhyeok Jo and Youngjin Kang

Molecules, 2024, 29, 2929
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Non-covalent intramolecular interactions through ligand-design promoting efficient photoluminescence from transition metal complexes

Igor O. Koshevoy, Maren Krause and Axel Klein

Coordination Chemistry Reviews, 2020, 405, 213094
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Theoretical studies on charge transport and optical properties of diarylmaleic anhydride derivatives as organic light-emitting materials

Xubo Jia, Huiling Wei, Yarui Shi and Yufang Liu

Chemical Physics Letters, 2019, 724, 50
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