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Dataset from the structural, spectral, electrochemical, photoluminescence, electroluminescence and DFTstudies of platinum(II) compounds with 2,2’,6’,2”-terpyridine derivatives

Version 1.0

Maroń, Anna; Świtlicka, Anna; Zowiślok, Bartosz; Cwynar, Krzysztof; Dzida, Marzena; Libera, Marcin; Siwy, Mariola; Schab-Balcerzak, Ewa; Kowalska, Dorota; Maćkowski, Sebastian, 2025, "Dataset from the structural, spectral, electrochemical, photoluminescence, electroluminescence and DFTstudies of platinum(II) compounds with 2,2’,6’,2”-terpyridine derivatives", https://doi.org/10.18150/TQENQH, RepOD, V1

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Description

This dataset contains data from the analyses published in the article entitled: “From stimuli-responsive emission to a rare aggregation induced emission effect in platinum(ii) terpyridyl complexes”, published in: Dalton Transactions, 2025, DOI: 10.1039/D5DT01391G. Received: 13 June 2025 / Accepted: 30 September 2025 / First published: 10 November 2025.

These data includes experimental data files of structural (SXRD and PXRD), spectral (HRMS, FTIR, UV-Vis, NMR), electrochemical (CV), photoluminescence studies (Luminescence_298K, Luminescence_77K, Cryostat_experiment, Viscosity_experiment, Acid-base_experiment, AIE_experiment) and electroluminescence studies (Electroluminescence), together with quantum mechanical calculations (input files for DFT and TD-DFT calculations) for platinum(II) complexes (A-C) with with 2,2’,6’,2”-terpyridines substituted at position 4’ by phenyl linked electron donating groups prepared in the Institute of Chemistry, Faculty of Science and Technology, University of Silesia in Katowice, Katowice, Poland.

Please consult the README.txt file for additional information.

(2025-11)
Subject
Chemistry
Keyword

heterocyclic compounds, charge transfer, luminescence, platinum compounds, electroluminescence

Related Publication

Zowiślok Bartosz, Anna Świtlicka, Anna Maria Maroń, Krzysztof Cwynar, Marzena Dzida, Marcin Libera, Mariola Siwy, Dorota Kowalska, Sebastian Maćkowski Ewa Schab-Balcerzak; From stimuli-responsive emission to a rare aggregation induced emission effect in platinum(II) terpyridyl complexes; Dalton Transactions, 2025, https://doi.org/10.1039/D5DT01391G https://doi.org/10.1039/D5DT01391G doi: 10.1039/D5DT01391G

CC BY - Creative Commons Attribution 4.0 CC BY - Creative Commons Attribution 4.0

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README.txt
Plain Text - 14.8 KB - Nov 25, 2025 - 0 Downloads
MD5: f15c91fa4d11dc70623eb6f2d965504f
License: CC BY - Creative Commons Attribution 4.0
README file with description for dataset
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C_acid-base_experiment.zip
ZIP Archive - 177.4 KB - Nov 25, 2025 - 0 Downloads
MD5: e5e3b19534c9d77b677d232c6797f7b4
License: CC BY - Creative Commons Attribution 4.0
including .png files of stationary emission spectra of C (c = 25uM) with and without TEA (triethylamine) and photographs of samples of C with addition of TEA or TFA (trifluoroacetic acid) at room temperature (298K) and at 77K
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C_AIE_experiment.zip
ZIP Archive - 33.9 KB - Nov 25, 2025 - 1 Download
MD5: e506091989cdcc122c0b33db87113c5e
License: CC BY - Creative Commons Attribution 4.0
including .txt files of stationary emission spectra of C (c = 25uM) in THF-water mixtures of various composition from 100-O till 10-90
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C_Cryostat_experiment.zip
ZIP Archive - 43.1 KB - Nov 25, 2025 - 0 Downloads
MD5: 8b7369ae1cbd8f4e57c42acf7b4a510f
License: CC BY - Creative Commons Attribution 4.0
including .txt files of stationary emission spectra of C (c = 25uM) in methanol-ethanol mixture (1/4 v/v) at different temperatures from 80K till 290K
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C_Viscosity_experiment.zip
ZIP Archive - 31.4 KB - Nov 25, 2025 - 0 Downloads
MD5: dff84b5f48aad4d2518af510a44d3a84
License: CC BY - Creative Commons Attribution 4.0
including .txt files of stationary emission spectra of C (c = 25uM) in tracetin-methanol mixtures of various composition from 100-O till 10-90
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DFT.zip
ZIP Archive - 29.5 KB - Nov 25, 2025 - 0 Downloads
MD5: 33551b1bd7c01e5ca0a683c426c207e3
License: CC BY - Creative Commons Attribution 4.0
.inp files of DFT and TD-DFT calculations of studied compounds A, B and C using various functionals (PBE1PBE, B3LYP, CAM-B3LYP, wB97X-D)
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Electroluminescence.zip
ZIP Archive - 287.9 KB - Nov 25, 2025 - 0 Downloads
MD5: c4a6f50f250f052520a11d11992b8051
License: CC BY - Creative Commons Attribution 4.0
including .png files of photo- (_PL) and electroluminescence (_EL) of PVK:PBD matrix with increasing amounts of C (7a), EL of neat film of C depending of voltage applied (7b), effect of applied voltage on EL of C (7c) and chromaticity diagram of C in host-guest matrix (7d)
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FTIR.zip
ZIP Archive - 306.7 KB - Nov 25, 2025 - 0 Downloads
MD5: 632ee4ff8165145889eb52bc6e60a212
License: CC BY - Creative Commons Attribution 4.0
tif files of FTIR spectra of studied platinum(II) compounds A, B and C with corresponding ligand
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Luminescence_77K.zip
ZIP Archive - 631.1 KB - Nov 25, 2025 - 0 Downloads
MD5: c450cbc5b45c1faca304ceefba0fa62d
License: CC BY - Creative Commons Attribution 4.0
including .txt files of stationary luminescence spectra \[emission (_em) and/or excitation spectra (_exc)] of studied compounds A, B and C in methanol-ethanol mixture (1/4 v/v) at low temperature (_77K) and corresponding .txt files of decay curves (_decay) with pdf files of fits (fit) of these decay curves
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Luminescence_298K.zip
ZIP Archive - 1.1 MB - Nov 25, 2025 - 0 Downloads
MD5: bf991a2ba1160f9b88a7ac344883ac3b
License: CC BY - Creative Commons Attribution 4.0
including .txt files of stationary luminescence spectra \[emission (_em) and excitation spectra (_exc)] of studied compounds A, B and C in triacetin solutions (_triacetin) or in solid state (_solid_unground_solid_ground) at room temperature (_298K) and corresponding .txt files of decay curves (_decay) with .pdf files of fits (fit) of these decay curves
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