Ligand Control of Structural Diversity in Luminescent Hybrid Copper(I) Iodides

Wang, Shuxin; Morgan, Emily E.; Panuganti, Shobhana; Mao, Lingling; Vishnoi, Pratap; Wu, Guang; Liu, Quanlin; Kanatzidis, Mercouri G.; Schaller, Richard D.; Seshadri, Ram

doi:10.1021/acs.chemmater.1c04408

Title: Ligand Control of Structural Diversity in Luminescent Hybrid Copper(I) Iodides

Journal Article · Mon Mar 14 00:00:00 EDT 2022 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.1c04408· OSTI ID:1870293

Wang, Shuxin ^[1];

^[2];

^[3];

^[4];

^[5]; Wu, Guang ^[2];

^[6];

^[7];

^[2]

Univ. of California, Santa Barbara, CA (United States); Univ. of Science and Technology Beijing (China)
Univ. of California, Santa Barbara, CA (United States)
Northwestern Univ., Evanston, IL (United States)
Southern Univ. of Science and Technology, Guangdong (China)
Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore (India)
Univ. of Science and Technology Beijing (China)
Northwestern Univ., Evanston, IL (United States); Argonne National Lab. (ANL), Lemont, IL (United States)

Copper(I) iodide hybrids are of interest for next-generation lighting technologies because of their efficient luminescence in the absence of rare-earth elements. Here, we report 10 structurally diverse hybrid copper(I) iodides that emit in the green–red region with quantum yields reaching 67%. The compounds display a diversity of structures including ones with one-dimensional (1D) Cu–1 chains, Cu₂I₂ rhomboid dimers, and structures with two different arrangements of Cu₄I₄ tetramers. The compounds with Cu₂I₂ rhomboid dimers or Cu₄I₄ cubane tetramers have higher photoluminescence quantum yields than those with Cu–I 1D chains and octahedral Cu₄I₄ tetramers, owing to the optimal degree of condensation of the inorganic motifs, which suppresses nonradiative processes. Electronic structure calculations on these compounds point out the critical influence of the inorganic motif and organic ligand on the nature of the band gaps and thus the excitation characteristics. Temperature-dependent photoluminescence spectra are presented to better understand the nature of luminescence in compounds with different inorganic motifs. Here. the emerging understanding of composition–structure–property correlations in this family provides inspiration for the rational design of hybrid phosphors for general lighting applications.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Univ. of California, Santa Barbara, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF); NSF Graduate Research Fellowship Program

Grant/Contract Number:: SC0012541; AC02-06CH11357

OSTI ID:: 1870293

Journal Information:: Chemistry of Materials, Vol. 34, Issue 7; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

References (94)

Structural diversity and chemical trends in hybrid inorganic–organic framework materials Cheetham, Anthony K.; Rao, C. N. R.; Feller, Russell K. Chem. Commun., Issue 46 https://doi.org/10.1039/B610264F	journal	January 2006
Recent progress in hybrid materials science Sanchez, Clément; Shea, Kenneth J.; Kitagawa, Susumu Chemical Society Reviews, Vol. 40, Issue 2 https://doi.org/10.1039/c1cs90001c	journal	January 2011
Two-Dimensional Hybrid Halide Perovskites: Principles and Promises Mao, Lingling; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G. Journal of the American Chemical Society, Vol. 141, Issue 3 https://doi.org/10.1021/jacs.8b10851	journal	November 2018
Multiferroic Behavior Associated with an Order−Disorder Hydrogen Bonding Transition in Metal−Organic Frameworks (MOFs) with the Perovskite ABX ₃ Architecture Jain, Prashant; Ramachandran, Vasanth; Clark, Ronald J. Journal of the American Chemical Society, Vol. 131, Issue 38 https://doi.org/10.1021/ja904156s	journal	September 2009
Organic-Inorganic Hybrid Materials as Semiconducting Channels in Thin-Film Field-Effect Transistors Kagan, C. R.; Mitzi, D. B.; Dimitrakopoulos, C. D. Science, Vol. 286, Issue 5441, p. 945-947 https://doi.org/10.1126/science.286.5441.945	journal	October 1999
Tuning the Luminescence of Layered Halide Perovskites Smith, Matthew D.; Connor, Bridget A.; Karunadasa, Hemamala I. Chemical Reviews, Vol. 119, Issue 5 https://doi.org/10.1021/acs.chemrev.8b00477	journal	January 2019
Design Principles for Enhancing Photoluminescence Quantum Yield in Hybrid Manganese Bromides Mao, Lingling; Guo, Peijun; Wang, Shuxin Journal of the American Chemical Society, Vol. 142, Issue 31 https://doi.org/10.1021/jacs.0c06039	journal	July 2020
Promises and challenges of perovskite solar cells Correa-Baena, Juan-Pablo; Saliba, Michael; Buonassisi, Tonio Science, Vol. 358, Issue 6364 https://doi.org/10.1126/science.aam6323	journal	November 2017
Engineering the magnetic properties of hybrid organic-ferromagnetic interfaces by molecular chemical functionalization Atodiresei, Nicolae; Caciuc, Vasile; Lazić, Predrag Physical Review B, Vol. 84, Issue 17 https://doi.org/10.1103/PhysRevB.84.172402	journal	November 2011
Synthesis, Structure and Magnetic Phase Transitions of the Manganese Succinate Hybrid Framework, Mn(C4H4O4) Saines, Paul J.; Melot, Brent C.; Seshadri, Ram Chemistry - A European Journal, Vol. 16, Issue 25 https://doi.org/10.1002/chem.201000390	journal	May 2010
Structural Diversity and Magnetic Properties of Hybrid Ruthenium Halide Perovskites and Related Compounds Vishnoi, Pratap; Zuo, Julia L.; Strom, T. Amanda Angewandte Chemie, Vol. 132, Issue 23 https://doi.org/10.1002/ange.202003095	journal	April 2020
Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël Journal of the American Chemical Society, Vol. 140, Issue 40 https://doi.org/10.1021/jacs.8b08691	journal	September 2018
Organic–Inorganic Perovskites: Structural Versatility for Functional Materials Design Saparov, Bayrammurad; Mitzi, David B. Chemical Reviews, Vol. 116, Issue 7 https://doi.org/10.1021/acs.chemrev.5b00715	journal	March 2016
Hybrid Organic−Inorganic Polyoxometalate Compounds: From Structural Diversity to Applications Dolbecq, Anne; Dumas, Eddy; Mayer, Cédric R. Chemical Reviews, Vol. 110, Issue 10 https://doi.org/10.1021/cr1000578	journal	October 2010
Tunable, Ligand-Based Emission from Inorganic−Organic Frameworks: A New Approach to Phosphors for Solid State Lighting and Other Applications Furman, Joshua D.; Warner, Alina Y.; Teat, Simon J. Chemistry of Materials, Vol. 22, Issue 7 https://doi.org/10.1021/cm9030733	journal	February 2010
The Diversity of Layered Halide Perovskites Smith, Matthew D.; Crace, Ethan J.; Jaffe, Adam Annual Review of Materials Research, Vol. 48, Issue 1 https://doi.org/10.1146/annurev-matsci-070317-124406	journal	July 2018
Luminescent inorganic-organic hybrid semiconductor materials for energy-saving lighting applications Liu, Wei; Lustig, William P.; Li, Jing EnergyChem, Vol. 1, Issue 2 https://doi.org/10.1016/j.enchem.2019.100008	journal	September 2019
Intrinsic White-Light Emission from Layered Hybrid Perovskites Dohner, Emma R.; Jaffe, Adam; Bradshaw, Liam R. Journal of the American Chemical Society, Vol. 136, Issue 38 https://doi.org/10.1021/ja507086b	journal	September 2014
Ultra-bright and highly efficient inorganic based perovskite light-emitting diodes Zhang, Liuqi; Yang, Xiaolei; Jiang, Qi Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms15640	journal	June 2017
Highly Efficient Broad-Band Luminescence Involving Organic and Inorganic Molecules in a Zero-Dimensional Hybrid Lead Chloride Yangui, Aymen; Roccanova, Rachel; Wu, Yuntao The Journal of Physical Chemistry C, Vol. 123, Issue 36 https://doi.org/10.1021/acs.jpcc.9b05509	journal	August 2019
Tunable White-Light Emission in Single-Cation-Templated Three-Layered 2D Perovskites (CH ₃ CH ₂ NH ₃ ) ₄ Pb ₃ Br _{10– x} Cl _x Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C. Journal of the American Chemical Society, Vol. 139, Issue 34 https://doi.org/10.1021/jacs.7b06143	journal	August 2017
Copper Iodide Based Hybrid Phosphors for Energy-Efficient General Lighting Technologies Liu, Wei; Fang, Yang; Li, Jing Advanced Functional Materials, Vol. 28, Issue 8 https://doi.org/10.1002/adfm.201705593	journal	January 2018
A New Type of Hybrid Copper Iodide as Nontoxic and Ultrastable LED Emissive Layer Material Zhu, Kun; Cheng, Zhongkai; Rangan, Sylvie ACS Energy Letters, Vol. 6, Issue 7 https://doi.org/10.1021/acsenergylett.1c00993	journal	June 2021
Copper(I) halides: A versatile family in coordination chemistry and crystal engineering Peng, Rong; Li, Mian; Li, Dan Coordination Chemistry Reviews, Vol. 254, Issue 1-2 https://doi.org/10.1016/j.ccr.2009.10.003	journal	January 2010
X-ray Structures and Emissive and Second-Order Nonlinear Optical Properties of Two Inorganic−Organic Polymeric Adducts of CuI with 4-Acetylpyridine. The Role of Both “Intrastrand” Charge Transfers and Structural Motifs on the Nonlinear Optical Response of Cu(I) Polymeric Adducts with Pseudoaromatic η ¹ -Nitrogen Donor Ligands Cariati, Elena; Roberto, Dominique; Ugo, Renato Chemistry of Materials, Vol. 14, Issue 12 https://doi.org/10.1021/cm020640w	journal	November 2002
Photoluminescence Properties of Multinuclear Copper(I) Compounds Ford, Peter C.; Cariati, Elena; Bourassa, James Chemical Reviews, Vol. 99, Issue 12 https://doi.org/10.1021/cr960109i	journal	December 1999
Phosphorescence quantum yield enhanced by intermolecular hydrogen bonds in Cu4I4 clusters in the solid state Mazzeo, Paolo P.; Maini, Lucia; Petrolati, Alex Dalton Transactions, Vol. 43, Issue 25 https://doi.org/10.1039/c4dt00218k	journal	January 2014
White luminescence achieved by a multiple thermochromic emission in a hybrid organic–inorganic compound based on 3-picolylamine and copper( i ) iodide Farinella, F.; Maini, L.; Mazzeo, P. P. Dalton Transactions, Vol. 45, Issue 44 https://doi.org/10.1039/C6DT03049A	journal	January 2016
Tunable Optical and Photocatalytic Properties of Low-Dimensional Copper(I)-Iodide Hybrids Using Coordinating Organic Ligands Hou, Feier; Powell, Matthew; Dougherty, Daniel B. Crystal Growth & Design, Vol. 18, Issue 9 https://doi.org/10.1021/acs.cgd.8b00788	journal	August 2018
Network formation and photoluminescence in copper(i) halide complexes with substituted piperazine ligands Safko, Jason P.; Kuperstock, Jacob E.; McCullough, Shannon M. Dalton Transactions, Vol. 41, Issue 38 https://doi.org/10.1039/c2dt31241g	journal	January 2012
Ligand Coordination Site-Directed Assembly of Copper(I) Iodide Complexes of ((Pyridyl)-1-pyrazolyl)pyridine Li, Jun-Chi; Li, Hong-Xi; Li, Hai-Yan Crystal Growth & Design, Vol. 16, Issue 3 https://doi.org/10.1021/acs.cgd.5b01721	journal	January 2016
Simple and extremely efficient blue emitters based on mononuclear Cu( i )-halide complexes with delayed fluorescence Ohara, Hiroki; Kobayashi, Atsushi; Kato, Masako Dalton Trans., Vol. 43, Issue 46 https://doi.org/10.1039/C4DT02709D	journal	January 2014
Luminescent homodinuclear copper(I) halide complexes based on the 3,5-bis{6-(2,2′-dipyridyl)}pyrazole ligand Chen, Jing-Lin; Song, Peng; Liao, Jinsheng Inorganic Chemistry Communications, Vol. 13, Issue 9 https://doi.org/10.1016/j.inoche.2010.06.010	journal	September 2010
Experimental and ab Initio Study of Catena(bis(μ ₂ -iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida Inorganic Chemistry, Vol. 55, Issue 15 https://doi.org/10.1021/acs.inorgchem.6b00796	journal	July 2016
Polymeric one- and two-dimensional copper( i ) iodide complexes showing photoluminescence tunable by azaaromatic ligands Kitada, Nobuo; Ishida, Takayuki CrystEngComm, Vol. 16, Issue 34 https://doi.org/10.1039/C4CE01231C	journal	January 2014
Systematic Approach in Designing Rare-Earth-Free Hybrid Semiconductor Phosphors for General Lighting Applications Zhang, Xiao; Liu, Wei; Wei, George Z. Journal of the American Chemical Society, Vol. 136, Issue 40 https://doi.org/10.1021/ja507927a	journal	August 2014
A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach Liu, Wei; Fang, Yang; Wei, George Z. Journal of the American Chemical Society, Vol. 137, Issue 29 https://doi.org/10.1021/jacs.5b04840	journal	July 2015
Tunable Luminescence in Hybrid Cu(I) and Ag(I) Iodides Wang, Shuxin; Morgan, Emily E.; Vishnoi, Pratap Inorganic Chemistry, Vol. 59, Issue 20 https://doi.org/10.1021/acs.inorgchem.0c02517	journal	September 2020
Site-Selective Benzannulation of N -Heterocycles in Bidentate Ligands Leads to Blue-Shifted Emission from [( P^N )Cu] ₂ (μ-X) ₂ Dimers Mondal, Rajarshi; Lozada, Issiah B.; Davis, Rebecca L. Inorganic Chemistry, Vol. 57, Issue 9 https://doi.org/10.1021/acs.inorgchem.7b03223	journal	April 2018
A Systematic Approach to Achieving High Performance Hybrid Lighting Phosphors with Excellent Thermal- and Photostability Fang, Yang; Liu, Wei; Teat, Simon J. Advanced Functional Materials, Vol. 27, Issue 3 https://doi.org/10.1002/adfm.201603444	journal	December 2016
White Electroluminescent Phosphine-Chelated Copper Iodide Nanoclusters Xie, Mingchen; Han, Chunmiao; Zhang, Jing Chemistry of Materials, Vol. 29, Issue 16 https://doi.org/10.1021/acs.chemmater.7b01443	journal	August 2017
Two new 3-D photoluminescence metal–organic frameworks based on cubane Cu4I4 clusters as tetrahedral nodes Hou, Qin; Jia, Ming-Jun; Zhao, Jin-Jing Inorganica Chimica Acta, Vol. 384 https://doi.org/10.1016/j.ica.2011.12.018	journal	April 2012
Cuprophilic Interactions in Luminescent Copper(I) Clusters with Bridging Bis(dicyclohexylphosphino)methane and Iodide Ligands: Spectroscopic and Structural Investigations Fu, Wen-Fu; Gan, Xin; Che, Chi-Ming Chemistry - A European Journal, Vol. 10, Issue 9 https://doi.org/10.1002/chem.200305657	journal	May 2004
Synthesis, crystal structures and dynamic NMR studies of novel trinuclear copper(I) halide complexes with 2,5-bis[(diphenylphosphino)methyl]thiophene Chen, Bang-Lin; Mok, Kum-Fun; Ng, Siu-Choon Journal of the Chemical Society, Dalton Transactions, Issue 17 https://doi.org/10.1039/a803440k	journal	January 1998
Substituent regulated photoluminescent thermochromism in a rare type of octahedral Cu ₄ I ₄ clusters Yu, Ya-Dong; Meng, Ling-Bin; Chen, Qiu-Cheng New Journal of Chemistry, Vol. 42, Issue 11 https://doi.org/10.1039/C8NJ00505B	journal	January 2018
Synthesis of novel pyridyl containing phospholanes and their polynuclear luminescent copper( i ) complexes Musina, E. I.; Shamsieva, A. V.; Strelnik, I. D. Dalton Transactions, Vol. 45, Issue 5 https://doi.org/10.1039/C5DT03346B	journal	January 2016
Subtle Modulation of Cu ₄ X ₄ L ₂ Phosphine Cluster Cores Leads to Changes in Luminescence Chen, Kelly; Shearer, Jason; Catalano, Vincent J. Inorganic Chemistry, Vol. 54, Issue 13 https://doi.org/10.1021/acs.inorgchem.5b00443	journal	June 2015
Geometry Flexibility of Copper Iodide Clusters: Variability in Luminescence Thermochromism Benito, Quentin; Le Goff, Xavier F.; Nocton, Gregory Inorganic Chemistry, Vol. 54, Issue 9 https://doi.org/10.1021/acs.inorgchem.5b00321	journal	April 2015
Structure and photoluminescence property of two-dimensional coordination polymer complexes involving CuI6X6(X = Cl, Br, I) hexagon prism cluster supported by a tripodal tripyridine ligand with 1,3,5-triethylbenzene spacer Ohi, Hiromi; Tachi, Yoshimitsu; Kunimoto, Takashi Dalton Transactions, Issue 19 https://doi.org/10.1039/b508747c	journal	January 2005
Banded ribbons of Cu6I6 hexamers and multimodal thioether pyrazine ligands linked by self-complementary N⋯H–C synthons Amoore, Jarrod J. M.; Hanton, Lyall R.; Spicer, Mark D. Dalton Transactions, Issue 6 https://doi.org/10.1039/b212365g	journal	February 2003
Cu ₄ I ₄ Clusters Supported by P ^∧ N-type Ligands: New Structures with Tunable Emission Colors Liu, Zhiwei; Djurovich, Peter I.; Whited, Matthew T. Inorganic Chemistry, Vol. 51, Issue 1 https://doi.org/10.1021/ic2015226	journal	December 2011
Mechanochemical preparation of copper iodide clusters of interest for luminescent devices Maini, Lucia; Mazzeo, Paolo P.; Farinella, Francesco Faraday Discuss., Vol. 170 https://doi.org/10.1039/C3FD00164D	journal	January 2014
Short-Bite PNP Ligand-Supported Rare Tetranuclear [Cu ₄ I ₄ ] Clusters: Structural and Photoluminescence Studies Naik, Susmita; Mague, Joel T.; Balakrishna, Maravanji S. Inorganic Chemistry, Vol. 53, Issue 7 https://doi.org/10.1021/ic500240j	journal	March 2014
Synthesis, structure, and luminescence of the “octahedral” cluster Cu4I4(rac-IsMePCH2PMeIs)2 (Is=2,4,6-(i-Pr)3C6H2) Emerson, Ethan W.; Cain, Matthew F.; Sanderson, Matthew D. Inorganica Chimica Acta, Vol. 427 https://doi.org/10.1016/j.ica.2014.12.012	journal	March 2015
Chelating and bridging bis(diphenylphosphino)aniline complexes of copper(I) Ahuja, Ritu; Nethaji, Munirathinam; Samuelson, Ashoka G. Inorganica Chimica Acta, Vol. 372, Issue 1 https://doi.org/10.1016/j.ica.2011.03.035	journal	June 2011
Synthesis and X-ray crystal structures of dimeric nickel(0) and tetrameric copper(I) iodide complexes of 2-diphenylphosphino-3-methylphosphinine Mézailles, Nicolas; Le Floch, Pascal; Waschbüsch, Klaus Journal of Organometallic Chemistry, Vol. 541, Issue 1-2 https://doi.org/10.1016/S0022-328X(97)00071-5	journal	August 1997
Tetranuclear copper(I) complex. Crystal and molecular structure of the 2:1 derivative of copper(I) iodide and bis(diphenylphosphino)methane Marsich, N.; Nardin, G.; Randaccio, L. Journal of the American Chemical Society, Vol. 95, Issue 12 https://doi.org/10.1021/ja00793a040	journal	June 1973
Copper(I) Diphosphine Catalysts for C−N Bond Formation: Synthesis, Structure, and Ligand Effects Daly, Stephen; Haddow, Mairi F.; Orpen, A. Guy Organometallics, Vol. 27, Issue 13 https://doi.org/10.1021/om800139v	journal	May 2008
Experimental and Theoretical Study of Novel Luminescent Di-, Tri-, and Tetranuclear Copper Triazole Complexes Zink, Daniel M.; Grab, Tobias; Baumann, Thomas Organometallics, Vol. 30, Issue 12 https://doi.org/10.1021/om1011648	journal	June 2011
Copper(I) Chloride Cluster Complexes with Pentaphenyl-Cyclopentaphosphane as Ligand Scherer, Markus; Stein, Daniel; Breher, Frank Zeitschrift für anorganische und allgemeine Chemie, Vol. 631, Issue 13-14 https://doi.org/10.1002/zaac.200500152	journal	October 2005
Two-Dimensional Copper Iodide-Based Inorganic–Organic Hybrid Semiconductors: Synthesis, Structures, and Optical and Transport Properties Ki, Wooseok; Hei, Xiuze; Yi, Hee Taek Chemistry of Materials, Vol. 33, Issue 13 https://doi.org/10.1021/acs.chemmater.1c01421	journal	June 2021
Synthesis, crystal structure, thermal and luminescence properties of CuX(2,3-dimethylpyrazine) (X = Cl, Br, I) coordination polymers Jeß, Inke; Taborsky, Petr; Pospíšil, Jiří Dalton Trans., Issue 22 https://doi.org/10.1039/B701905J	journal	January 2007
Anion-dependent construction of copper(i/ii)-1,2,4,5-tetra(4-pyridyl)benzene frameworks Hu, Sheng; Zhang, Ze-Ming; Meng, Zhao-Sha CrystEngComm, Vol. 12, Issue 12 https://doi.org/10.1039/c0ce00141d	journal	January 2010
Spacer length-controlled assembly of [Cu _n I _n ]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin CrystEngComm, Vol. 14, Issue 5 https://doi.org/10.1039/C2CE06312C	journal	January 2012
Synthesis, Structure, and Characterization of Dinuclear Copper(I) Halide Complexes with P^N Ligands Featuring Exciting Photoluminescence Properties Zink, Daniel M.; Bächle, Michael; Baumann, Thomas Inorganic Chemistry, Vol. 52, Issue 5 https://doi.org/10.1021/ic300979c	journal	October 2012
Copper( i )–polymers and their photoluminescence thermochromism properties Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui Photochemical & Photobiological Sciences, Vol. 18, Issue 2 https://doi.org/10.1039/C8PP00474A	journal	January 2019
Fluorescent copper(I) complexes: structural and spectroscopic characterization of bis(p-toluidine)bis(acetonitrile)tetraiodotetracopper and bis[(p-chloroaniline)(acetonitrile)diiododicopper] tetrameric complexes of mixed-ligand character Rath, Nigam P.; Holt, Elizabeth M.; Tanimura, Katsumi Inorganic Chemistry, Vol. 24, Issue 23 https://doi.org/10.1021/ic00217a048	journal	November 1985
A Dual-emission Strategy for a Wide-range Phosphorescent Color-tuning of a Crystalline-state Molecular Cluster [Cu ₄ I ₄ (2-Bzpy) ₄ ] (2-Bzpy = 2-Benzylpyridine) Nagaoka, Shiori; Ozawa, Yoshiki; Toriumi, Koshiro Chemistry Letters, Vol. 47, Issue 9 https://doi.org/10.1246/cl.180435	journal	September 2018
Luminescent Cu ₄ I ₄ –Cu ₃ (Pyrazolate) ₃ Coordination Frameworks: Postsynthetic Ligand Substitution Leads to Network Displacement and Entanglement Zhan, Shun-Ze; Li, Mian; Zheng, Ji Inorganic Chemistry, Vol. 56, Issue 21 https://doi.org/10.1021/acs.inorgchem.7b02144	journal	October 2017
Luminescence and Nonlinear Optical Properties in Copper(I) Halide Extended Networks Khatri, Natasha M.; Pablico-Lansigan, Michele H.; Boncher, William L. Inorganic Chemistry, Vol. 55, Issue 21 https://doi.org/10.1021/acs.inorgchem.6b01879	journal	October 2016
Synthesis, structure and photoluminescence properties of three copper( i ) iodide based inorganic–organic hybrid structures with pyrazine derivatives Xu, Chanchan; Lv, Le; Luo, Dawei New Journal of Chemistry, Vol. 44, Issue 33 https://doi.org/10.1039/D0NJ02341H	journal	January 2020
All-in-One: Achieving Robust, Strongly Luminescent and Highly Dispersible Hybrid Materials by Combining Ionic and Coordinate Bonds in Molecular Crystals Liu, Wei; Zhu, Kun; Teat, Simon J. Journal of the American Chemical Society, Vol. 139, Issue 27 https://doi.org/10.1021/jacs.7b04550	journal	June 2017
Lithium Batteries Julien, Christian; Mauger, Alain; Vijh, Ashok Lithium Batteries https://doi.org/10.1007/978-3-319-19108-9_2	book	January 2016
Progress in discovery and structural design of color conversion phosphors for LEDs Xia, Zhiguo; Liu, Quanlin Progress in Materials Science, Vol. 84 https://doi.org/10.1016/j.pmatsci.2016.09.007	journal	December 2016
Phosphors for Solid-State White Lighting George, Nathan C.; Denault, Kristin A.; Seshadri, Ram Annual Review of Materials Research, Vol. 43, Issue 1 https://doi.org/10.1146/annurev-matsci-073012-125702	journal	July 2013
Electronic Transitions Involved in the Absorption Spectrum and Dual Luminescence of Tetranuclear Cubane [Cu ₄ I ₄ (pyridine) ₄ ] Cluster: a Density Functional Theory/Time-Dependent Density Functional Theory Investigation De Angelis, Filippo; Fantacci, Simona; Sgamellotti, Antonio Inorganic Chemistry, Vol. 45, Issue 26 https://doi.org/10.1021/ic061147f	journal	December 2006
Origins of the double emission of the tetranuclear copper(I) cluster Cu4I4(pyridine)4: an ab initio study Vitale, Marcello; Palke, William E.; Ford, Peter C. The Journal of Physical Chemistry, Vol. 96, Issue 21 https://doi.org/10.1021/j100200a023	journal	October 1992
Flexibility of cubane-like Cu4I4 framework: temperature dependence of molecular structure and luminescence thermochromism of [Cu4I4(PPh3)4] in two polymorphic crystalline states Kitagawa, Hakuba; Ozawa, Yoshiki; Toriumi, Koshiro Chemical Communications, Vol. 46, Issue 34 https://doi.org/10.1039/c0cc01434f	journal	January 2010
Crystal-to-Crystal Transformation between Three CuI Coordination Polymers and Structural Evidence for Luminescence Thermochromism Kim, Tae Ho; Shin, Yong Woon; Jung, Jong Hwa Angewandte Chemie, Vol. 120, Issue 4 https://doi.org/10.1002/ange.200704349	journal	January 2008
Luminescence thermochromism of two entangled copper-iodide networks with a large temperature-dependent emission shift Sun, Di; Yuan, Shuai; Wang, Hua Chemical Communications, Vol. 49, Issue 55 https://doi.org/10.1039/c3cc42741b	journal	January 2013
Polymorph and isomer conversion of complexes based on CuI and PPh ₃ easily observed via luminescence Maini, Lucia; Braga, Dario; Mazzeo, Paolo P. Dalton Trans., Vol. 41, Issue 2 https://doi.org/10.1039/C1DT11462J	journal	January 2012
Photoluminescence properties of the structurally analogous tetranuclear copper(I) clusters Cu4X4(dpmp)4 (X = I, Br, Cl; dpmp = 2-(diphenylmethyl)pyridine) Ryu, Chong Kul; Vitale, Marcello; Ford, Peter C. Inorganic Chemistry, Vol. 32, Issue 6 https://doi.org/10.1021/ic00058a020	journal	March 1993
Thermochromic Luminescence of Copper Iodide Clusters: The Case of Phosphine Ligands Perruchas, Sandrine; Tard, Cédric; Le Goff, Xavier F. Inorganic Chemistry, Vol. 50, Issue 21 https://doi.org/10.1021/ic201128a	journal	November 2011
Evaluation of Ligands Effect on the Photophysical Properties of Copper Iodide Clusters Huitorel, Brendan; El Moll, Hani; Utrera-Melero, Raquel Inorganic Chemistry, Vol. 57, Issue 8 https://doi.org/10.1021/acs.inorgchem.7b03160	journal	March 2018
Vibronic structure in the emission spectrum of the tetranuclear copper cluster [Cu4]4(dmpp)4] Lai, Dorothy C.; Zink, Jeffrey I. Inorganic Chemistry, Vol. 32, Issue 11 https://doi.org/10.1021/ic00063a064	journal	May 1993
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium Kresse, G.; Hafner, J. Physical Review B, Vol. 49, Issue 20, p. 14251-14269 https://doi.org/10.1103/PhysRevB.49.14251	journal	May 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Band structure diagram paths based on crystallography Hinuma, Yoyo; Pizzi, Giovanni; Kumagai, Yu Computational Materials Science, Vol. 128 https://doi.org/10.1016/j.commatsci.2016.10.015	journal	February 2017
sumo: Command-line tools for plotting and analysis of periodic ab initio calculations M. Ganose, Alex; J. Jackson, Adam; O. Scanlon, David Journal of Open Source Software, Vol. 3, Issue 28 https://doi.org/10.21105/joss.00717	journal	August 2018
Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis Ong, Shyue Ping; Richards, William Davidson; Jain, Anubhav Computational Materials Science, Vol. 68 https://doi.org/10.1016/j.commatsci.2012.10.028	journal	February 2013

Linked Research (10)

Similar Records

Two anionic [Cu{sup I}{sub 6}X{sub 7}]{sub n}{sup n-} (X=Br and I) chain-based organic-inorganic hybrid solids with N-substituted benzotriazole ligands

Journal Article · Sat May 15 00:00:00 EDT 2010 · Journal of Solid State Chemistry · OSTI ID:1870293

Xia, Gao; Shuni, Li; Rui, Xia; +2 more

Highly efficient and very robust blue-excitable yellow phosphors built on multiple-stranded one-dimensional inorganic–organic hybrid chains

Journal Article · Wed Apr 17 00:00:00 EDT 2019 · Chemical Science · OSTI ID:1870293

Fang, Yang; Sojdak, Christopher A.; Dey, Gangotri; +8 more

Blending Ionic and Coordinate Bonds in Hybrid Semiconductor Materials: A General Approach toward Robust and Solution-Processable Covalent/Coordinate Network Structures

Journal Article · Tue Feb 11 00:00:00 EST 2020 · Journal of the American Chemical Society · OSTI ID:1870293

Hei, Xiuze; Liu, Wei; Zhu, Kun; +9 more

Related Subjects

36 MATERIALS SCIENCE
Anions
Chemical structure
Crystal structure
Ligands
Oligomers

CCDC 2123472: Experimental Crystal Structure Determination Shuxin, Wang,; E., Morgan, Emily; Shobhana, Panuganti, https://doi.org/10.5517/ccdc.csd.cc298n3c The current record is supplemented by this dataset	dataset	January 2022
CCDC 2123473: Experimental Crystal Structure Determination Shuxin, Wang, https://doi.org/10.5517/ccdc.csd.cc298n4d The current record is supplemented by this dataset	dataset	January 2022
CCDC 2123474: Experimental Crystal Structure Determination Shuxin, Wang,; E., Morgan, Emily; Shobhana, Panuganti, https://doi.org/10.5517/ccdc.csd.cc298n5f The current record is supplemented by this dataset	dataset	January 2022
CCDC 2123475: Experimental Crystal Structure Determination Shuxin, Wang,; E., Morgan, Emily; Shobhana, Panuganti, https://doi.org/10.5517/ccdc.csd.cc298n6g The current record is supplemented by this dataset	dataset	January 2022
CCDC 2123476: Experimental Crystal Structure Determination Shuxin, Wang,; E., Morgan, Emily; Shobhana, Panuganti, https://doi.org/10.5517/ccdc.csd.cc298n7h The current record is supplemented by this dataset	dataset	January 2022
CCDC 2123477: Experimental Crystal Structure Determination Shuxin, Wang,; E., Morgan, Emily; Shobhana, Panuganti, https://doi.org/10.5517/ccdc.csd.cc298n8j The current record is supplemented by this dataset	dataset	January 2022
CCDC 2123478: Experimental Crystal Structure Determination Shuxin, Wang,; E., Morgan, Emily; Shobhana, Panuganti, https://doi.org/10.5517/ccdc.csd.cc298n9k The current record is supplemented by this dataset	dataset	January 2022
CCDC 2123479: Experimental Crystal Structure Determination Shuxin, Wang,; E., Morgan, Emily; Shobhana, Panuganti, https://doi.org/10.5517/ccdc.csd.cc298nbl The current record is supplemented by this dataset	dataset	January 2022
CCDC 2123480: Experimental Crystal Structure Determination Shuxin, Wang,; E., Morgan, Emily; Shobhana, Panuganti, https://doi.org/10.5517/ccdc.csd.cc298ncm The current record is supplemented by this dataset	dataset	January 2022
CCDC 2123481: Experimental Crystal Structure Determination Shuxin, Wang,; E., Morgan, Emily; Shobhana, Panuganti, https://doi.org/10.5517/ccdc.csd.cc298ndn The current record is supplemented by this dataset	dataset	January 2022

Title: Ligand Control of Structural Diversity in Luminescent Hybrid Copper(I) Iodides

Citation Formats

References (94)

Linked Research (10)

Similar Records

Related Subjects