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Publications

Publications of ModISC members

All publications that have been produced within the ModISC framework since the start of ModISC in October 2019 are listed here. ModISC members are highlighted (Doctoral researchers - bold+italic, PIs - bold).

2024
  • Haselbach, W., Nolden, O., Blaise, N., Förster, T., Gindorf, M., Kippes, M., Rademacher, M. P., Jantz, M., van Wilderen, L. J. G. W., Bredenbeck, J., Wachtveitl, J., Gilch, P. The slow photo-induced CO2 release of N-phthaloylglycine. Chem. Sci., 2024, 10.1039/D4SC01604A. https://doi.org/10.1039/D4SC01604A
  • Morshedi, M., Zimmermann, S. L., Klaverkamp, D., Gilch, P. References for Small Fluorescence Quantum Yields. J Fluoresc, 2024. DOI: 10.1007/s10895-024-03729-2. https://doi.org/10.1007/s10895-024-03729-2

  • Banerji, A., Halbrügge, L. Forschung verbreiten in Schule und Öffentlichkeit. Nachrichten aus der Chemie, 2024, https://doi.org/10.1002/nadc.20244139391
  • Thielert, P., El Bitar Nehme, M., Maylaender, M., Franz, M., Zimmermann, S. L., Fisch, F., Gilch, P., Vargas Jentzsch, A., Rickhaus, M., Richert, S. Influence of the substitution position on spin communication in photoexcited perylene−nitroxide dyads. Chem. Sci., 2024, 20, https://doi.org/10.1039/D4SC00328D
  • Rademacher, M. P., Rohn, T., Haselbach, W., Ott, A. T., Bringmann, P. W., Gilch, P. Spectroscopic view on the interaction between the psoralen derivative amotosalen and DNA. Photochem Photobiol Sci, 2024, 23, 693-709, https://doi.org/10.1007/s43630-024-00545-2
2023
  • Schmeinck, P., Sretenovic, D., Guhl, J., Kühnemuth, R., Seidel, C.A.M., Marian, C.M., Suta, M., Ganter, C. Luminescent Copper(I)-Complexes with an Anionic NHC obtained via a Coordination Polymer as Versatile Precursor. Eur JIC, 2023, 26(27), e202300416, https://doi.org/10.1002/ejic.202300416

  • Haj Hassani Sohi, T., Maass, F., Czekelius, C., Vasylyeva, V. A Comparison Study of Roseolumiflavin Solvates: Structural and Energetic Perspective on Their Stability. Crystals, 2023, 13(10), 1512. doi: 10.3390/cryst13101512

  • Schulz, T., Konieczny, P. Dombrowski, D. R., Metz, S., Marian, C. M., Weinkauf, R. Electron affinities and lowest triplet and singlet state properties of para-oligophenylenes (n=3-5): Theory and experiment. Phys Chem Chem Phys, 2023, 25, 29850-29866, https://doi.org/10.1039/D3CP03153E

  • Djalali, S., Banerji, A., Kleinschmidt, M., Gilch, P., Halbrügge, L. Visualizing the Origin of the Exchange Energy. World Journal of Chemical Education, 2023, 11(4), 141-148. doi: 10.12691/wjce-11-4-3

  • Mayländer, M., Kopp, K., Nolden, O., Franz, M., Thielert, P., Jentzsch, A. V., Gilch, P., Schiemann, O., Richert, S. PDI-tridyl dyads as photogenerated molecular spin qubit candidates. Chem Sci, 2023, 14, 10727-10735, https://doi.org/10.1039/D3SC04375D

  • Karl, L., Meisner, J., Ganter, C. Investigations on Novel 1,3-Diazetidine Based Four-Membered N-Heterocyclic Carbenes. Eur J Inorg Chem, 2023, 26, 13, e202300022 https://doi.org/10.1002/ejic.202300022
  • Miranda-Salinas, H., Rodriguez-Serrano, A., Kaminski, J. M., Dinkelbach, F., Hiromichi, N., Kusakabe, Y., Kaji, H., Marian, C. M., Monkman, A. P. Conformational, Host, and Vibrational Effects Giving Rise to Dynamic TADF Behavior in the Through-Space Charge Transfer, Triptycene Bridged Acridine-Triazine Donor Acceptor TADF Molecule TpAT-tFFO. J. Phys. Chem. C, 2023, 127, 8607-8617, https://doi.org/10.1021/acs.jpcc.2c07529
  • Püschel, D., Wiefermann, J., Hédé, S., Heinen, T., Pfeifer, L., Weingart, O., Suta, M., Müller, T. J. J., Janiak, C. Molecular design of thermally activated delayed fluorescence of phenazine-5,10-diyl-dibenzonitriles. J Mater Chem C, 2023, 11, 8982-8991 https://doi.org/10.1039/D3TC01228J
  • Kloeters, L. N., Meissner, J. A.,  Presser, L., Suta, M., Meisner, J., Müller, T. J. J.. 3-Ligated Phenothiazinyl-terephthalonitrile Dyads and Triads – Synthesis, Electronic Properties, Delayed Fluorescence and Electronic Structure. Chem. Eur. J. 2023, 29, e202301114, https://doi.org/10.1002/chem.202301114
  • Kubitz, M., Haselbach, W., Sretenovic, D., Bracker, M., Kleinschmidt, M., Kühnemuth, R., Seidel, C. A. M., Gilch, P., Czekelius, C. Increasing the Fluorescence Quantum Yield and Lifetime of the Flavin Chromophore by Rational Design. ChemPhotoChem, 2023, 7(7)e202200334, , https://doi.org/10.1002/cptc.202200334
  • Thom, K., Nolden, O., Weingart, O., Izumi, S., Minakata, S., Takeda, Y., Gilch, P. Femtosecond Spectroscopy on a Dibenzophenazine-Cored Macrocycle Exhibiting Thermally Activated Delayed Fluorescence. Chemistry Open, 2023, 12, e202300026, https://doi.org/10.1002/open.202300026
  • Stavrou, K., Franca, L. G., Böhmer, T., Duben, L. M., Marian C. M., Monkman, A. P. Unexpected quasi-axial conformer in thermally activated delayed fluorescence DMAC-TRZ. Demonstrating how to turn green OLEDs into blue. Adv. Funct. Mater. 2300910, 2023,  https://doi.org/10.1002/adfm.202300910
  • Püschel, D., Hédé, S., Maisuls, I., Höfert, S., Woschko, D., Kühnemuth, R., Felekyan, S., Seidel, C.A.M., Czekelius, C., Weingart, O., Strassert, C.A., Janiak, C. Enhanced Solid-State Fluorescence of Flavin Derivatives by In-Corporation in the Metal-Organic Frameworks MIL-53(Al) and MOF-5. Molecules 2023 28, 2877 https://doi.org/10.3390/molecules28062877
  • Wiefermann, J., Müller, T. J. J., Synthesis and electronic properties of torsionally constrained blue emissive triphenylamine -pyridine chromophores. Dyes Pigm. 2023, 111143. https://doi.org/10.1016/j.dyepig.2023.111134
  • Haselbach, W., Kaminski, J. M., Kloeters, L. N., Müller, T. J. J., Weingart, O., Marian, C. M., Gilch, P., Nogueira de Faria, B. E. A Thermally Activated Delayed Fluorescence Emitter Investigated by Time-Resolved Near-Infrared Spectroscopy. Chem. Eur. J. 2023 https://doi.org/10.1002/chem.202202809
  • Wiefermann, J., Kaminski, J. M., Pankert, E., Hertel, D., Meerholz, K., Marian, C. M., Müller, T. J. J. Highly Luminescent Blue Emitter with Balanced Hybridized Locally and Charge-Transfer Excited-States Emission. ChemPhotoChem, 7,  e202200265, 2023https://doi.org/10.1002/cptc.202200265
2022
  •  van Swieten, T. P., Steenhoff, J. M., Vlasblom, A. de Berg, R., Mattern, S. P., Rabouw, F. T., Suta, M., Meijerink, A. Extending the dynamic temperature range of Boltzmann thermometers, Light: Sci. Appl. 2022, 11, 343, https://doi.org/10.1038/s41377-022-01028-8

  • Netzsch, P., Hämmer, M., Turgunbajew, E., van Swieten, T. P., Meijerink, A., Höppe, H. A., Suta, M. Beyond the Energy Gap Law: The Influence of Selection Rules and Host Compound Effects on Nonradiative Transition Rates in Boltzmann Thermometers, Adv. Opt. Mater. 2022, 10, 2200059, https://doi.org/10.1002/adom.202200059

  • Bendel, B., Suta, M. How to calibrate luminescent crossover thermometers: A note on "quasi"-Boltzmann systems, J. Mater. Chem. C 2022, 10, 13805-13814, https://doi.org/10.1039/D2TC01152B

  • Halbrügge, L., Banerji, A., Meerholz, K. Hallo Zukunft! Gedruckte Elektronik als Handson Experiment für die Lehre in den Naturwissenschaften an (Hoch‐)Schulen CHEMKON 2022 29, 355‐361. https://doi.org/10.1002/ckon.202200030

  • Metz, S., Böhmer, T., Raunitschke, B., Marian, C. M. Intersystem Crossing and Intramolecular Triplet Excitation Energy Transfer in Spiro[9,10-dihydro-9-oxoanthracene-10,2´- 5´,6´-benzindan] Investigated by DFT/MRCI Methods Can J Chem 2022 https://doi.org/10.1139/cjc-2022-0259

  • Nolden, O., Kremper, J., Haselbach, W., Morshedi, M., Guhl, J., Schmeinck, P., Marian, C.M., Ganter, C., Gilch, P. Femtosecond Spectroscopy and Quantum Chemistry of a Linearly Coordinated Copper(I) Carbene Complex. ChemPhotoChem 2022 http://dx.doi.org/10.1002/cptc.202200231

  • Suta, M., Performance of Boltzmann and crossover single-emitter luminescent thermometers and their recommended operation modes, Opt. Mater.: X 2022, 16, 100195, https://doi.org/10.1016/j.omx.2022.100195

  • Sohi, T. H. H., Maass, F., Czekelius, C., Suta, M., Vasylyeva, V. Co-crystallization of organic chromophore roseolumiflavin and effect on its optical characteristics. CrystEngComm 2022, 24, 7315-7325,  https://doi.org/10.1039/D2CE00589A

  • Morshedi, M., Nolden, O., Janke, P., Haselbach, W., Schmitt, M., Gilch, P. The photophysics of 2-cyanoindole probed by femtosecond spectroscopy. Photochem & Photobiol Sci. 2022 https://doi.org/10.1007/s43630-022-00348-3

  • Zhao, T., Geng, W., Dong, M., Zhao, Y., Janiak, C., Shen, L., Ying, J., Yang, X.-Y. The enhanced dyes removal and catalytic property for nanofused structural chromium-benzenedicarboxylate metal-organic framework. Chem. Phys. Lett. 2022, 803, 139859.  https://doi.org/10.1016/j.cplett.2022.139859 

  • Kloeters, L. N., May, L., Tengen, B., May, L., Müller, T. J. J. Fluorescent Phenothiazine-Triazine Donor-Acceptor Conjugates by Facile Consecutive Nucleophilic Displacement – Color Tuning by Substitution and Protochromicity. Dyes Pigm. 2022, 206, 110564. https://doi.org/10.1016/j.dyepig.2022.110564

  • Sohi, T. H. H., Maass, F., Czekelius, C., Suta, M., Vasylyeva, V. Co-crystallization of organic chromophore roseolumiflavin and effect on its optical characteristics. CrystEngComm 2022  https://doi.org/10.1039/D2CE00589A

  • Wu, Z., Dinkelbach, F., Kerner, F., Friedrich, A., Ji, L., Stepanenko, V., Worthner, F., Marian, C. M., Marder, T. B. Aggregation-induced dual phosphorescence from (o-bromophenyl)-bis(2,6-dimethylphenyl)borane at room temperature. Chem. Eur. J. 2022 28, e202200525 https://doi.org/10.1002/chem.202200525

  • Kaminski, J., Rodriguez Serrano, A., Dinkelbach, F., Miranda-Salinas, H., Monkman, A. P., Marian, C. M. Vibronic effects accelerate the intersystem crossing processes of the through-space charge transfer states in the triptycene bridged acridine–triazine donor–acceptor molecule TpAT-tFFO. Chem. Sci. 2022, 13, 7057 https://doi.org/10.1039/D1SC07101G

  • Mayländer, M., Nolden, O., Franz, M., Chen, S., Bancroft, L., Qiu, Y., Wasielewski, M. R., Gilch, P., Richert, S. Accessing the triplet state of perylenediimide by radical-enhanced intersystem crossing, Chem. Sci. 2022 http://dx.doi.org/10.1039/D2SC01899C

  • Metz, S., Marian, C. M. Modulation of intersystem crossing by chemical composition and colvent effects: Benzophenone, anthrone and fluorenone. ChemPhotoChem, 6. e202200098, 2022 https://doi.org/10.1002/cptc.202200098
  • Wiefermann, J., Schmeinck, P., Ganter, C., Müller, T. J. J. Highly Deep-blue Luminescent Twisted Diphenylamino Terphenyl Emitters by Bromine-Lithium Exchange Borylation-Suzuki Sequence. Chem. Eur. J. 2022, e202200576 https://doi.org/10.1002/chem.202200576
  • Bracker, M., Kubitz, M. K., Czekelius, C., Marian, C. M., Kleinschmidt, M. Computer-aided design of fluorinated flavin derivatives by modulation of intersystem crossing and fluorescence. ChemPhotoChem. e202200040 2022 https://doi.org/10.1002/cptc.202200040
2021
  • Bracker, M., Marian, C. M., Kleinschmidt, M. Internal conversion of singlet and triplet states employing numerical DFT/MRCI derivative couplings: Implementation, tests, and application to xanthone. J. Chem. Phys. 2021 155, 014102 doi.org/10.1063/5.0056182

  • Hölzel, T., Belyaev, A., Terzi, M., Stenzel, L., Gernert, M., Marian, C. M., Steffen, A., Ganter, C. Linear carbene pyridine copper complexes with sterically demanding N,N'-bis(trityl)imidazolylidene: Syntheses, molecular structures and photophysical properties. Inorg. Chem. 2021, 60, 18529-18543 https://doi.org/10.1021/acs.inorgchem.1c03082

  • Marian, C. M. Understanding and controlling intersystem crossing in molecules. Annu.  Rev. Phys. Chem. 2021, 72, 617-640. https://doi.org/10.1146/annurev-physchem-061020-053433

  • Dinkelbach, F., Bracker, M., Kleinschmidt, M., Marian, C. M. Large inverted singlet–triplet energy gaps are not always favorable for triplet harvesting: Vibronic coupling drives the (reverse) intersystem crossing in heptazine derivatives. J. Phys. Chem. A 2021, 125, 10044-10051 https://doi.org/10.1021/acs.jpca.1c09150

  • Rodriguez-Serrano, A., Dinkelbach, F., Marian, C. M. Intersystem crossing processes in the 2CzPN emitter: A DFT/MRCI study including vibrational spin–orbit interactions. Phys. Chem. Chem. Phys. 2021, 23, 3668-3678. https://doi.org/10.1039/D0CP06011A

  • Halbrügge, L., Banerji, A., Rösler, S. Hello Future! Printed Electronics as a Hands-On Experiment for Science Teaching. World Journal of Chemical Education. 2021, 9(4), 104-110. DOI: 10.12691/wjce-9-4-2

  • Xing, S., Liang, J., Brandt, P., Schäfer, F., Nuhnen, A., Heinen, T., Boldog, I., Möllmer, J., Lange, M., Weingart, O., Janiak, C. Capture and Separation of SO2 Traces in Metal-Organic Frameworks via Pre-synthetic Pore Environment Tailoring by Methyl Groups. Angew. Chem. Int. Ed. 2021, 60, 17998-18005.  https://doi.org/10.1002/anie.202105229

  • Thom, K.A., Wieser, F., Diestelhorst, K., Reiffers, A., Czekelius, C., Kleinschmidt, M., Bracker, M., Marian, C.M., Gilch, P. Acridones: Strongly Emissive HIGHrISC Fluorophores. The Journal of Physical Chemistry Letters 2021 0, 12 DOI: 10.1021/acs.jpclett.1c01381 https://doi.org/10.1021/acs.jpclett.1c01381

  • Brandt, P., Xing, S.-H., Liang, J., Kurt, G., Nuhnen, A., Weingart, O., Janiak, C. Zirconium and Aluminum MOFs for Low-Pressure SO2 Adsorption and Potential Separation: Elucidating the Effect of Small Pores and NH2-Groups. ACS Appl Mater Interfaces 2021, 13, 29137-29149. https://doi.org/10.1021/acsami.1c06003

  • Wulkesch, C. & Czekelius, C. Straightforward Synthesis of Fluorinated Enals via Photocatalytic α-Perfluoroalkenylation of Aldehydes. The Journal of Organic Chemistry 2021, 86 (11), 7425-7438. https://doi.org/10.1021/acs.joc.1c00383

  • Nolden, O., Fleck, N., Lorenzo, E.R., Wasielewski, M.R., Schiemann, O., Gilch, P., Richert, S. Excitation Energy Transfer and Exchange‐Mediated Quartet State Formation in Porphyrin‐Trityl Systems. Chem. Eur. J. 2021, 27 (8), 2683 - 2691 https://doi.org/10.1002/chem.202002805
  • Thom, K.A., Förster, T., Weingart, O., Goto, S., Takeda, Y., Minakata, S., Gilch, P. The Photophysics of Dibenzo[a,j]phenazine. ChemPhotoChem 2021, 5 (4), 335 - 347 https://doi.org/10.1002/cptc.202000250
  • Helmecke, L., Spittler, M., Schmidt, B. M., Czekelius, C. Metal-free lodoperfluoroalkylation: Photocatalysis versus frustrated Lewis pair catalysis. Synthesis 2021; 53(01): 123-134 DOI: 10.1055/s-0040-1707232
2020
  • Darzinezhad, K. , Amini, M. M., Janghouri, M., Mohajerani, E., Fathollahi, M.-R., Jamshidi, Z., Janiak, C. Introducing Bluish-Green Light-Emitting Diodes (OLEDs) and Tuning Their Color Intensity by Uranium Complexes: Synthesis, Characterization, and Photoluminescence Studies of 8-Hydroxyquinoline Complexes of Uranium. Inorg. Chem. 2020, 59 17028-17037. https://doi.org/10.1021/acs.inorgchem.0c02242
  • Xing, S., Janiak, C. Design and properties of multiple-emitter luminescent metal-organic frameworks. Chem. Commun. 2020, 56, 12290-12306.  https://doi.org/10.1039/D0CC04733C
  • Wu, Z., Nitsch, J., Schuster, J., Friedrich, A., Edkins, K., Loebnitz, M., Dinkelbach, F., Stephanenko, V., Würthner, F., Marian, C.M., Ji, L., Marder, T.B. Persistent Room Temperature Phosphorescence from Triarylboranes: A Combined Experimental and Theoretical Study. Angew. Chem. Int. Ed. 2020, 59, 17137–17144 https://doi.org/10.1002/anie.202007610
  • Bracker, M., Helmecke, L., Kleinschmidt, M., Czekelius, C., Marian, C.M. Visible Light-Induced Homolytic Cleavage of Perfluoroalkyl Iodides Mediated by Phosphines. Molecules 2020, 25, 1606. https://doi.org/10.3390/molecules25071606
  • Knedel, T.-O., Buss, S., Maisuls, I., Daniliuc, C. G., Schlüsener, C., Brandt, P., Weingart, O., Vollrath, A., Janiak, C., Strassert, C. A. (2020) Encapsulation of Phosphorescent Pt(II) Complexes in Zn-Based Metal−Organic Frameworks toward Oxygen-Sensing Porous Materials. Inorg. Chem. 59, 7252-7264. https://dx.doi.org/10.1021/acs.inorgchem.0c00678
  • Kökçam-Demir, Ü., Goldman, A., Esrafili, L., Gharib, M., Morsali, A., Weingart, O., Janiak, C. (2020) Coordinatively unsaturated metal sites (open metal sites) in metal-organic frameworks: design and applications. Chem. Soc. Rev. 49, 2751-2798. https://doi.org/10.1039/c9cs00609e

Joint Publications of the PIs prior to 1st of October 2019

  1. On the large apparent Stokes shift of phthalimides, Reiffers, A., Torres Ziegenbein, C., Schubert, L., Diekmann, J., Thom, K. A., Kühnemuth, R., Griesbeck, A., Weingart, O. and Gilch, P., Physical Chemistry Chemical Physics 2019, 21(9), 4839-4853, https://dx.doi.org/10.1039/C8CP07795A.
  2. Cu-F Interactions between Cationic Linear N-Heterocyclic Carbene Copper(I) Pyridine Complexes and Their Counterions Greatly Enhance Blue Luminescence Efficiency,Liske, A., Wallbaum, L., Hölzel, T, Föller, J., Gernert, M., Hupp, B., Ganter, Ch., Marian, Ch. M., Steffen, A., Inorg Chem. 2019, 58, 5433-5445. https://doi.org/10.1021/acs.inorgchem.9b00337
  3. Teaching Organic Electronics – Part II: Quick & Easy Synthesis of the (Semi-)Conductive Polymer PEDOT:PSS in a Snap-Cap Vial, Banerji, A., Kirchmeyer, S., Meerholz, K., Scharinger, F., World Journal of Chemical Education 2019, 7(2), 166-171, http://pubs.sciepub.com/wjce/7/2/16  
  4. Metal-organic frameworks with potential application for SO2-Separation and flue gas desulfurization, Brandt, P., Nuhnen, A., Lange, M., Möllmer, J., Weingart, O. and Janiak, C., ACS Appl. Mater. Interfaces, 2019, 11, 17350–17358. https://doi.org/10.1021/acsami.9b00029
  5. Impact of Mono‐Fluorination on the Photophysics of the Flavin Chromophore, Reiffers, A., Torres Ziegenbein, C., Engelhardt, A., Kühnemuth, R., Gilch, P. and Czekelius, C., Photochemistry and Photobiology 2018, 94, 667-676, https://doi.org/10.1111/php.12921.
  6. Dual photochemical reaction pathway in flavin-based photoreceptor LOV domain: A combined quantum-mechanics/molecular-mechanics investigation, Nakagawa, S., Weingart, O. and Marian, C. M., J. Phys. Chem. B, 2017, 121, 9583-9596. https://doi.org/10.1021/acs.jpcb.7b09207
  7. Femtosecond Spectroscopy of Calcium Dipicolinate - A Major Component of Bacterial Spores, Mundt, R., Torres Ziegenbein, C., Fröbel, S., Weingart, O., and Gilch, P., The Journal of Physical Chemistry B 2016, 120(35), 9376-9386, http://dx.doi.org/10.1021/acs.jpcb.6b06230.
  8. Thioxanthone in Apolar Solvents: Ultrafast Internal Conversion Precedes Fast Intersystem Crossing, Mundt, R., Villnow, T., Torres Ziegenbein, C., Gilch, P., Marian, C. and Rai-Constapel, V., Physical Chemistry Chemical Physics 2016, 18, 6637-6647, http://dx.doi.org/10.1039/c5cp06849e.
  9. The Photoformation of a Phthalide: A Ketene Intermediate Traced by FSRS, Fröbel, S., Buschhaus, L., Villnow, T., Weingart, O., and Gilch, P., Physical Chemistry Chemical Physics 2015, 17, 376-386, http://dx.doi.org/10.1039/C4CP03351E.
  10. Chimeric Behavior of Excited Thioxanthone in Protic Solvents: I. Experiments, Villnow, T.; Ryseck, G.; Rai-Constapel, V.; Marian, C. M.; Gilch, P., J. Phys. Chem. A 2014, 118 (50), 11696-11707. https://doi.org/10.1021/jp5099393
  11. Chimeric Behavior of Excited Thioxanthone in Protic Solvents: II. Theory, Rai-Constapel, V.; Villnow, T.; Ryseck, G.; Gilch, P.; Marian, C. M., J. Phys. Chem. A 2014, 118 (50), 11708-11717. https://doi.org/10.1021/jp5099415
  12. The Ugi Four-Component Reaction Route to Photoinducible Electron-Transfer Systems, Bay, S., Villnow, T., Ryseck, G., Rai-Constapel, V., Gilch, P., and Müller, T.J.J., ChemPlusChem 2013, 78(2), 137-141, http://dx.doi.org/10.1002/cplu.201200279.
  13. Extracting Picosecond Time Constants from Steady-State Spectroscopy: A Physical Chemistry Experiment, Fröbel, S., Appel, S., Ganter, C., and Gilch, P.Journal of Chemical Education 2013, 90, 1082-1086, http://dx.doi.org/10.1021/ed4001393.
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