Charge Transfer and Recombination Pathways through Fullerene Guests in Porphyrin-Based MOFs

Arissa, Alison; Rose, Thomas; Leick, Noémi; Grimme, Stefan; Johnson, Justin C.; Lockard, Jenny V.

doi:10.1021/acs.jpcc.5c00161

Title: Charge Transfer and Recombination Pathways through Fullerene Guests in Porphyrin-Based MOFs

Journal Article · Tue Apr 22 00:00:00 UTC 2025 · Journal of Physical Chemistry. C

DOI: https://doi.org/10.1021/acs.jpcc.5c00161 · OSTI ID:2565363

Arissa, Alison ^[1]; Rose, Thomas ^[2];

^[3];

^[2];

^[3];

^[1]

Rutgers University, Newark, NJ (United States)
Univ. of Bonn (Germany)
National Renewable Energy Laboratory (NREL), Golden, CO (United States)

Porphyrin-based metal–organic frameworks (MOFs) offer a unique platform for building porous donor–acceptor networks that exhibit long-lived charge separation and transport upon incorporation of electron acceptor guest species. Here, in this work, porphyrin-based MOFs, PCN-222(H₂) and PCN-222(Zn), synthesized as nanoparticle suspensions, are successfully infiltrated with fullerene acceptor molecules, C₆₀ or PC₆₁BM, in both polar and nonpolar solvent environments. The location and relative binding strength of these guest species are evaluated through a combination of N₂ physisorption measurements, photoluminescence quenching, and UV–vis absorption titration experiments. Semiempirical tight binding calculations are used to screen potential locations of the fullerene guest within the MOF pores, and hybrid density functional theory (DFT)-computed interaction energies confirm the energetically favorable positions. The fundamental photophysics of these donor–acceptor host–guest combinations are probed using ultrafast transient absorption spectroscopy. Sub-picosecond electron transfer involving initial exciplex population is observed, with slow charge recombination lifetimes on the order of τ ~1 ns for all systems in both dimethylformamide and 1,4-dioxane. Charge recombination occurs through population of fullerene and/or framework porphyrin triplet states depending on the porphyrin metalation status. The photophysics of the fullerene-loaded MOFs are discussed in the context of relevant porphyrin–fullerene donor–acceptor molecules to highlight the unique role of the framework environment in dictating photoinduced electron transfer and decay pathways.

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Research Organization:: National Renewable Energy Laboratory (NREL), Golden, CO (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division

Grant/Contract Number:: AC36-08GO28308

OSTI ID:: 2565363

Report Number(s):: NREL/JA--5900-92435; MainId:94216; UUID:b09adb7e-cfe9-4aa4-a996-dffd5977516d; MainAdminId:76746

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 17 Vol. 129; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

References (77)

Charge-Transfer Interactions in Face-to-Face Porphyrin-Fullerene Systems: Solvent-Dependent Luminescence in the Infrared Spectral Region Armaroli, Nicola; Marconi, Giancarlo; Echegoyen, Luis Chemistry – A European Journal, Vol. 6, Issue 9 https://doi.org/10.1002/(SICI)1521-3765(20000502)6:9<1629::AID-CHEM1629>3.0.CO;2-Z	journal	April 2000
Pore Chemistry of Metal–Organic Frameworks Ji, Zhe; Wang, Haoze; Canossa, Stefano Advanced Functional Materials, Vol. 30, Issue 41 https://doi.org/10.1002/adfm.202000238	journal	May 2020
Charge Separation and Charge Carrier Mobility in Photocatalytic Metal‐Organic Frameworks Fumanal, Maria; Ortega‐Guerrero, Andres; Jablonka, Kevin Maik Advanced Functional Materials, Vol. 30, Issue 49 https://doi.org/10.1002/adfm.202003792	journal	September 2020
Stable Metal-Organic Frameworks: Design, Synthesis, and Applications Yuan, Shuai; Feng, Liang; Wang, Kecheng Advanced Materials, Vol. 30, Issue 37 https://doi.org/10.1002/adma.201704303	journal	February 2018
Zirconium-Metalloporphyrin PCN-222: Mesoporous Metal-Organic Frameworks with Ultrahigh Stability as Biomimetic Catalysts Feng, Dawei; Gu, Zhi-Yuan; Li, Jian-Rong Angewandte Chemie International Edition, Vol. 51, Issue 41 https://doi.org/10.1002/anie.201204475	journal	August 2012
Porphyrinic Zirconium Metal–Organic Frameworks (MOFs) as Heterogeneous Photocatalysts for PET‐RAFT Polymerization and Stereolithography Zhang, Liwen; Shi, Xiaobing; Zhang, Zhiheng Angewandte Chemie International Edition, Vol. 60, Issue 10 https://doi.org/10.1002/anie.202014208	journal	January 2021
Efficient Electron Transfer from Electron‐Sponge Polyoxometalate to Single‐Metal Site Metal–Organic Frameworks for Highly Selective Electroreduction of Carbon Dioxide Sun, Ming‐Liang; Wang, Yi‐Rong; He, Wen‐Wen Small, Vol. 17, Issue 20 https://doi.org/10.1002/smll.202100762	journal	April 2021
Software update: The ORCA program system—Version 5.0 Neese, Frank WIREs Computational Molecular Science, Vol. 12, Issue 5 https://doi.org/10.1002/wcms.1606	journal	March 2022
The ORCA program system: The ORCA program system Neese, Frank Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 2, Issue 1 https://doi.org/10.1002/wcms.81	journal	June 2011
On the preparation of metalloporphyrins Adler, Alan D.; Longo, Frederick R.; Kampas, Frank Journal of Inorganic and Nuclear Chemistry, Vol. 32, Issue 7 https://doi.org/10.1016/0022-1902(70)80535-8	journal	July 1970
Reversible work transition state theory: application to dissociative adsorption of hydrogen Mills, Gregory; Jónsson, Hannes; Schenter, Gregory K. Surface Science, Vol. 324, Issue 2-3 https://doi.org/10.1016/0039-6028(94)00731-4	journal	February 1995
The surface triplet exciton of C60(111) Goldoni, A.; Cepek, C.; Modesti, S. Synthetic Metals, Vol. 77, Issue 1-3 https://doi.org/10.1016/0379-6779(96)80085-3	journal	February 1996
Ultrafast photoinduced electron transfer to C60 Sension, Roseanne J.; Szarka, Arpad Z.; Smith, Garry R. Chemical Physics Letters, Vol. 185, Issue 3-4 https://doi.org/10.1016/S0009-2614(91)85043-V	journal	October 1991
Host-guest interactions in the confined spaces of metal–organic frameworks: Design principles, characterizations, and applications Zhao, Yifang; Wu, Lian; Wu, Kun Coordination Chemistry Reviews, Vol. 524 https://doi.org/10.1016/j.ccr.2024.216302	journal	February 2025
Intermolecular and supramolecular photoinduced electron transfer processes of fullerene–porphyrin/phthalocyanine systems El-Khouly, Mohamed E.; Ito, Osamu; Smith, Phillip M. Journal of Photochemistry and Photobiology C: Photochemistry Reviews, Vol. 5, Issue 1 https://doi.org/10.1016/j.jphotochemrev.2004.01.003	journal	May 2004
Rational Construction and Efficient Regulation of Stable and Long-Lived Charge-Separation State in Fullerene Materials Wang, Chong; Wu, Bo; Wang, Chunru Accounts of Materials Research, Vol. 5, Issue 4 https://doi.org/10.1021/accountsmr.3c00247	journal	March 2024
Bimetallic Metal–Organic Frameworks for Gas Storage and Separation Yang, Xinchun; Xu, Qiang Crystal Growth & Design, Vol. 17, Issue 4 https://doi.org/10.1021/acs.cgd.7b00166	journal	March 2017
Engineering Electrical Conductivity in Stable Zirconium-Based PCN-222 MOFs with Permanent Mesoporosity Pratik, Saied Md; Gagliardi, Laura; Cramer, Christopher J. Chemistry of Materials, Vol. 32, Issue 14 https://doi.org/10.1021/acs.chemmater.0c01847	journal	June 2020
Nudged Elastic Band Method for Molecular Reactions Using Energy-Weighted Springs Combined with Eigenvector Following Ásgeirsson, Vilhjálmur; Birgisson, Benedikt Orri; Bjornsson, Ragnar Journal of Chemical Theory and Computation, Vol. 17, Issue 8 https://doi.org/10.1021/acs.jctc.1c00462	journal	July 2021
GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions Bannwarth, Christoph; Ehlert, Sebastian; Grimme, Stefan Journal of Chemical Theory and Computation, Vol. 15, Issue 3 https://doi.org/10.1021/acs.jctc.8b01176	journal	January 2019
Long-Lived Photoinduced Charge Separation in Inclusion Complexes Composed of a Phenothiazine-Bridged Cyclic Porphyrin Dimer and Fullerenes Kamimura, Takuya; Ohkubo, Kei; Kawashima, Yuki The Journal of Physical Chemistry C, Vol. 119, Issue 45 https://doi.org/10.1021/acs.jpcc.5b09147	journal	October 2015
Redox Hopping in Metal–Organic Frameworks through the Lens of the Scholz Model Yan, Minliang; Johnson, Eric M.; Morris, Amanda J. The Journal of Physical Chemistry Letters, Vol. 14, Issue 47 https://doi.org/10.1021/acs.jpclett.3c02641	journal	November 2023
Reaction-Type-Dependent Behavior of Redox-Hopping in MOFs─Does Charge Transport Have a Preferred Direction? Yan, Minliang; Bowman, Zaya; Knepp, Zachary J. The Journal of Physical Chemistry Letters, Vol. 15, Issue 48 https://doi.org/10.1021/acs.jpclett.4c01674	journal	November 2024
PCN-222 Metal–Organic Framework Nanoparticles with Tunable Pore Size for Nanocomposite Reverse Osmosis Membranes Bonnett, Brittany L.; Smith, Ethan D.; De La Garza, Miranda ACS Applied Materials & Interfaces, Vol. 12, Issue 13 https://doi.org/10.1021/acsami.0c04349	journal	March 2020
Fullerene−Porphyrin Constructs Boyd, Peter D. W.; Reed, Christopher A. Accounts of Chemical Research, Vol. 38, Issue 4 https://doi.org/10.1021/ar040168f	journal	April 2005
Porous Metal–Organic Frameworks for Heterogeneous Biomimetic Catalysis Zhao, Min; Ou, Sha; Wu, Chuan-De Accounts of Chemical Research, Vol. 47, Issue 4, p. 1199-1207 https://doi.org/10.1021/ar400265x	journal	February 2014
Excited-State Properties of C ₆₀ Fullerene Derivatives Guldi, Dirk M.; Prato, Maurizio Accounts of Chemical Research, Vol. 33, Issue 10 https://doi.org/10.1021/ar990144m	journal	October 2000
Functional Hybrid Porous Coordination Polymers Foo, Maw Lin; Matsuda, Ryotaro; Kitagawa, Susumu Chemistry of Materials, Vol. 26, Issue 1 https://doi.org/10.1021/cm402136z	journal	September 2013
Carbon Dioxide Capture in Metal–Organic Frameworks Sumida, Kenji; Rogow, David L.; Mason, Jarad A. Chemical Reviews, Vol. 112, Issue 2, p. 724-781 https://doi.org/10.1021/cr2003272	journal	September 2011
Redox processes and alkylation reactions of fullerene C60 as studied by pulse radiolysis Guldi, Dirk M.; Hungerbuehler, Hartmut; Janata, Eberhard The Journal of Physical Chemistry, Vol. 97, Issue 43 https://doi.org/10.1021/j100145a024	journal	October 1993
Supramolecular Fullerene-Porphyrin Chemistry. Fullerene Complexation by Metalated “Jaws Porphyrin” Hosts Sun, Dayong; Tham, Fook S.; Reed, Christopher A. Journal of the American Chemical Society, Vol. 124, Issue 23 https://doi.org/10.1021/ja017555u	journal	May 2002
Exciplex Intermediates in Photoinduced Electron Transfer of Porphyrin−Fullerene Dyads Kesti, Tero J.; Tkachenko, Nikolai V.; Vehmanen, Visa Journal of the American Chemical Society, Vol. 124, Issue 27 https://doi.org/10.1021/ja0257772	journal	July 2002
Design, Synthesis, and Photophysical Studies of a Porphyrin-Fullerene Dyad with Parachute Topology; Charge Recombination in the Marcus Inverted Region Schuster, David I.; Cheng, Peng; Jarowski, Peter D. Journal of the American Chemical Society, Vol. 126, Issue 23 https://doi.org/10.1021/ja038676s	journal	June 2004
Efficient Photoinduced Electron Transfer in a Porphyrin Tripod−Fullerene Supramolecular Complex via π−π Interactions in Nonpolar Media Takai, Atsuro; Chkounda, Mohammed; Eggenspiller, Antoine Journal of the American Chemical Society, Vol. 132, Issue 12 https://doi.org/10.1021/ja100192x	journal	March 2010
Metal–Organic Frameworks as A Tunable Platform for Designing Functional Molecular Materials Wang, Cheng; Liu, Demin; Lin, Wenbin Journal of the American Chemical Society, Vol. 135, Issue 36 https://doi.org/10.1021/ja308229p	journal	August 2013
Vapor-Phase Metalation by Atomic Layer Deposition in a Metal–Organic Framework Mondloch, Joseph E.; Bury, Wojciech; Fairen-Jimenez, David Journal of the American Chemical Society, Vol. 135, Issue 28, p. 10294-10297 https://doi.org/10.1021/ja4050828	journal	May 2013
Solvothermal Preparation of an Electrocatalytic Metalloporphyrin MOF Thin Film and its Redox Hopping Charge-Transfer Mechanism Ahrenholtz, Spencer R.; Epley, Charity C.; Morris, Amanda J. Journal of the American Chemical Society, Vol. 136, Issue 6 https://doi.org/10.1021/ja410684q	journal	January 2014
Reversible Photochemical Control of Singlet Oxygen Generation Using Diarylethene Photochromic Switches Hou, Lili; Zhang, Xiaoyan; Pijper, Thomas C. Journal of the American Chemical Society, Vol. 136, Issue 3 https://doi.org/10.1021/ja4122473	journal	January 2014
Linkage and Solvent Dependence of Photoinduced Electron Transfer in Zincporphyrin-C ₆₀ Dyads Imahori, Hiroshi; Hagiwara, Kiyoshi; Aoki, Masanori Journal of the American Chemical Society, Vol. 118, Issue 47 https://doi.org/10.1021/ja9628415	journal	January 1996
Semiconducting Supramolecular Organic Frameworks Assembled from a Near-Infrared Fluorescent Macrocyclic Probe and Fullerenes Kaur, Ramandeep; Sen, Sajal; Larsen, Mads Christian Journal of the American Chemical Society, Vol. 142, Issue 26 https://doi.org/10.1021/jacs.0c03699	journal	May 2020
Photoinduced Charge Transfer with a Small Driving Force Facilitated by Exciplex-like Complex Formation in Metal–Organic Frameworks Li, Xinlin; Yu, Jierui; Lu, Zhiyong Journal of the American Chemical Society, Vol. 143, Issue 37 https://doi.org/10.1021/jacs.1c06629	journal	September 2021
Quantifying Ligand Binding to the Surface of Metal–Organic Frameworks Wang, Austin; Barcus, Kyle; Cohen, Seth M. Journal of the American Chemical Society, Vol. 145, Issue 30, p. 16821-16827 https://doi.org/10.1021/jacs.3c04892	journal	July 2023
Symmetry-Breaking Charge Transfer in Metal–Organic Frameworks Rajasree, Sreehari Surendran; Fry, H. Christopher; Gosztola, David J. Journal of the American Chemical Society, Vol. 146, Issue 8 https://doi.org/10.1021/jacs.3c13764	journal	February 2024
Through-Space Ultrafast Photoinduced Electron Transfer Dynamics of a C ₇₀ -Encapsulated Bisporphyrin Covalent Organic Polyhedron in a Low-Dielectric Medium Ortiz, Michael; Cho, Sung; Niklas, Jens Journal of the American Chemical Society, Vol. 139, Issue 12 https://doi.org/10.1021/jacs.7b00220	journal	March 2017
Increased Electrical Conductivity in a Mesoporous Metal–Organic Framework Featuring Metallacarboranes Guests Kung, Chung-Wei; Otake, Kenichi; Buru, Cassandra T. Journal of the American Chemical Society, Vol. 140, Issue 11 https://doi.org/10.1021/jacs.8b00605	journal	February 2018
Metal–Organic Frameworks as Catalysts for Organic Synthesis: A Critical Perspective Pascanu, Vlad; González Miera, Greco; Inge, A. Ken Journal of the American Chemical Society, Vol. 141, Issue 18 https://doi.org/10.1021/jacs.9b00733	journal	April 2019
A simplified synthesis for meso-tetraphenylporphine Adler, Alan D.; Longo, Frederick R.; Finarelli, John D. The Journal of Organic Chemistry, Vol. 32, Issue 2 https://doi.org/10.1021/jo01288a053	journal	February 1967
Synthesis of Biladienone and Bilatrienone by Coupled Oxidation of Tetraarylporphyrins Asano, Naomi; Uemura, Sayo; Kinugawa, Tomoya The Journal of Organic Chemistry, Vol. 72, Issue 14 https://doi.org/10.1021/jo070692a	journal	June 2007
Phenothiazine-Bridged Cyclic Porphyrin Dimers as High-Affinity Hosts for Fullerenes and Linear Array of C ₆₀ in Self-Assembled Porphyrin Nanotube Sakaguchi, Ken-ichi; Kamimura, Takuya; Uno, Hidemitsu The Journal of Organic Chemistry, Vol. 79, Issue 7 https://doi.org/10.1021/jo500034f	journal	March 2014
Solvent Polarity Dependence of Photoinduced Charge Separation in a Tetrathiophene-C₆₀ Dyad Studied by Pico- and Nanosecond Laser Flash Photolysis in the Near-IR Region Fujitsuka, Mamoru; Ito, Osamu; Yamashiro, Takashi The Journal of Physical Chemistry A, Vol. 104, Issue 21 https://doi.org/10.1021/jp000136j	journal	April 2000
Solvent Dependence of Charge Separation and Charge Recombination Rates in Porphyrin−Fullerene Dyad Imahori, Hiroshi; El-Khouly, Mohamed E.; Fujitsuka, Mamoru The Journal of Physical Chemistry A, Vol. 105, Issue 2 https://doi.org/10.1021/jp002158b	journal	December 2000
Studies on Covalently Linked Porphyrin−C ₆₀ Dyads: Stabilization of Charge-Separated States by Axial Coordination D'Souza, Francis; Gadde, Suresh; Zandler, Melvin E. The Journal of Physical Chemistry A, Vol. 106, Issue 51 https://doi.org/10.1021/jp021926r	journal	December 2002
Ultrafast Photodynamics of Exciplex Formation and Photoinduced Electron Transfer in Porphyrin−Fullerene Dyads Linked at Close Proximity Tkachenko, Nikolai V.; Lemmetyinen, Helge; Sonoda, Junko The Journal of Physical Chemistry A, Vol. 107, Issue 42 https://doi.org/10.1021/jp035412j	journal	September 2003
Observation and Interpretation of Annulated Porphyrins: Studies on the Photophysical Properties of m eso- Tetraphenylmetalloporphyrins Rogers, Joy E.; Nguyen, Kiet A.; Hufnagle, David C. The Journal of Physical Chemistry A, Vol. 107, Issue 51 https://doi.org/10.1021/jp0354705	journal	December 2003
Tuning the Ground-State and Excited-State Interchromophore Interactions in Porphyrin−Fullerene π-Stacks Chukharev, Vladimir; Tkachenko, Nikolai V.; Efimov, Alexander The Journal of Physical Chemistry B, Vol. 108, Issue 42 https://doi.org/10.1021/jp037442s	journal	September 2004
Control of Photoinduced Energy- and Electron-Transfer Steps in Zinc Porphyrin−Oligothiophene−Fullerene Linked Triads with Solvent Polarity Nakamura, Takumi; Ikemoto, Jun-ya; Fujitsuka, Mamoru The Journal of Physical Chemistry B, Vol. 109, Issue 30 https://doi.org/10.1021/jp044316v	journal	July 2005
Photophysical Studies of Porphyrins and Metalloporphyrins: Accurate Measurements of Fluorescence Spectra and Fluorescence Quantum Yields for Soret Band Excitation of Zinc Tetraphenylporphyrin Karolczak, Jerzy; Kowalska, Dorota; Lukaszewicz, Adam The Journal of Physical Chemistry A, Vol. 108, Issue 21 https://doi.org/10.1021/jp049898v	journal	May 2004
Interaction of Metal Porphyrins with Fullerene C₆₀: A New Insight Liao, Meng-Sheng; Watts, John D.; Huang, Ming-Ju The Journal of Physical Chemistry B, Vol. 111, Issue 17 https://doi.org/10.1021/jp064367n	journal	April 2007
Effect of Anion Ligation on Electron Transfer of Double-Linked Zinc Porphyrin−Fullerene Dyad Al-Subi, Ali H.; Niemi, Marja; Tkachenko, Nikolai V. The Journal of Physical Chemistry A, Vol. 115, Issue 15 https://doi.org/10.1021/jp111234d	journal	April 2011
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions Marenich, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G. The Journal of Physical Chemistry B, Vol. 113, Issue 18, p. 6378-6396 https://doi.org/10.1021/jp810292n	journal	May 2009
A Cyclic Porphyrin Trimer as a Receptor for Fullerenes Gil-Ramírez, Guzmán; Karlen, Steven D.; Shundo, Atsuomi Organic Letters, Vol. 12, Issue 15 https://doi.org/10.1021/ol101393h	journal	July 2010
Progress in adsorption-based CO ₂ capture by metal–organic frameworks Liu, Jian; Thallapally, Praveen K.; McGrail, B. Peter Chem. Soc. Rev., Vol. 41, Issue 6 https://doi.org/10.1039/C1CS15221A	journal	January 2012
Solid-state reactivity and structural transformations involving coordination polymers Kole, Goutam Kumar; Vittal, Jagadese J. Chem. Soc. Rev., Vol. 42, Issue 4 https://doi.org/10.1039/C2CS35234F	journal	January 2013
Metal–metalloporphyrin frameworks: a resurging class of functional materials Gao, Wen-Yang; Chrzanowski, Matthew; Ma, Shengqian Chem. Soc. Rev., Vol. 43, Issue 16 https://doi.org/10.1039/C4CS00001C	journal	January 2014
Exploiting redox activity in metal–organic frameworks: concepts, trends and perspectives D'Alessandro, D. M. Chemical Communications, Vol. 52, Issue 58 https://doi.org/10.1039/C6CC00805D	journal	January 2016
Metal–organic and covalent organic frameworks as single-site catalysts Rogge, S. M. J.; Bavykina, A.; Hajek, J. Chemical Society Reviews, Vol. 46, Issue 11 https://doi.org/10.1039/C7CS00033B	journal	January 2017
General strategies for effective capture and separation of noble gases by metal–organic frameworks Wang, Hao; Li, Jing Dalton Transactions, Vol. 47, Issue 12 https://doi.org/10.1039/C8DT00030A	journal	January 2018
Recent advances in MOF-based photocatalysis: environmental remediation under visible light Wang, Qi; Gao, Qiaoyuan; Al-Enizi, Abdullah M. Inorganic Chemistry Frontiers, Vol. 7, Issue 2 https://doi.org/10.1039/C9QI01120J	journal	January 2020
Redox-active metal–organic frameworks for energy conversion and storage Calbo, Joaquín; Golomb, Matthias J.; Walsh, Aron Journal of Materials Chemistry A, Vol. 7, Issue 28 https://doi.org/10.1039/C9TA04680A	journal	January 2019
Recent advances in supramolecular fullerene chemistry Chang, Xingmao; Xu, Youzhi; von Delius, Max Chemical Society Reviews, Vol. 53, Issue 1 https://doi.org/10.1039/D2CS00937D	journal	January 2024
Photoelectroactive metal–organic frameworks Cong, Cong; Ma, Huaibo Journal of Materials Chemistry A, Vol. 11, Issue 25 https://doi.org/10.1039/D3TA00580A	journal	January 2023
Inclusion of C60 into an adjustable porphyrin dimer generated by dynamic disulfide chemistry Kieran, Amy L.; Pascu, Sofia I.; Jarrosson, Thibaut Chemical Communications, Issue 10 https://doi.org/10.1039/b417951j	journal	January 2005
Consistent structures and interactions by density functional theory with small atomic orbital basis sets Grimme, Stefan; Brandenburg, Jan Gerit; Bannwarth, Christoph The Journal of Chemical Physics, Vol. 143, Issue 5 https://doi.org/10.1063/1.4927476	journal	August 2015
Crystallographic identification of a series of manganese porphyrin complexes with nitrogenous bases Lahanas, Nicole; Kucheryavy, Pavel; Lalancette, Roger A. Acta Crystallographica Section C Structural Chemistry, Vol. 75, Issue 3 https://doi.org/10.1107/S2053229619001232	journal	February 2019
The Chemistry and Applications of Metal-Organic Frameworks Furukawa, H.; Cordova, K. E.; O'Keeffe, M. Science, Vol. 341, Issue 6149, p. 1230444-1230444 https://doi.org/10.1126/science.1230444	journal	August 2013
Nudged elastic band method for finding minimum energy paths of transitions JÓNsson, Hannes; Mills, Greg; Jacobsen, Karsten W. Proceedings of the International School of Physics, Classical and Quantum Dynamics in Condensed Phase Simulations https://doi.org/10.1142/9789812839664_0016	conference	November 2011
mcGFN-FF: an accurate force field for optimization and energetic screening of molecular crystals Grimme, Stefan; Rose, Thomas Zeitschrift für Naturforschung B, Vol. 79, Issue 4 https://doi.org/10.1515/znb-2023-0088	journal	April 2024

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
charge transfer
fullerene
metal-organic framework
triplet

Title: Charge Transfer and Recombination Pathways through Fullerene Guests in Porphyrin-Based MOFs

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