{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,26]],"date-time":"2026-10-26T12:41:31Z","timestamp":1793018491647,"version":"4.5.0"},"reference-count":81,"publisher":"American Chemical Society (ACS)","issue":"42","license":[{"start":{"date-parts":[[2026,10,11]],"date-time":"2026-10-11T00:00:00Z","timestamp":1791676800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100000266","name":"Engineering and Physical Sciences Research Council","doi-asserted-by":"publisher","award":["EP\/W524633\/1"],"award-info":[{"award-number":["EP\/W524633\/1"]}],"id":[{"id":"10.13039\/501100000266","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000781","name":"European Research Council","doi-asserted-by":"publisher","award":["818762"],"award-info":[{"award-number":["818762"]}],"id":[{"id":"10.13039\/501100000781","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004281","name":"Narodowe Centrum Nauki","doi-asserted-by":"publisher","award":["2020\/37\/N\/ST4\/02435"],"award-info":[{"award-number":["2020\/37\/N\/ST4\/02435"]}],"id":[{"id":"10.13039\/501100004281","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004281","name":"Narodowe Centrum Nauki","doi-asserted-by":"publisher","award":["2021\/43\/D\/ST4\/03017"],"award-info":[{"award-number":["2021\/43\/D\/ST4\/03017"]}],"id":[{"id":"10.13039\/501100004281","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000700","name":"Royal Commission for the Exhibition of 1851","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100000700","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100010661","name":"Horizon 2020 Framework Programme","doi-asserted-by":"publisher","award":["778158"],"award-info":[{"award-number":["778158"]}],"id":[{"id":"10.13039\/100010661","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,10,26]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Porphyrins are known for their rich triplet-state photophysics, making them attractive platforms for light-driven applications. Compared with extensively studied Pd(II) and Pt(II) porphyrins, Ru(II) porphyrins remain less systematically explored, particularly for triplet-driven reactivity. Here, we demonstrate that a single porphyrin framework can perform complementary functions: generate singlet oxygen (1O2) and photosensitize triplet\u2013triplet annihilation upconversion (TTA-UC). We examine six related systems: free-base porphyrins (1A\/1B) and Ru(II) complexes 2A\/2B with CO and 3A\/3B with CO plus PyPX (10-(pyridin-4-yl)-10H-phenoxazine). Complexes 3A and 3B are newly synthesized Ru(II) porphyrins, enabling direct assessment of axial ligation effects within this series. Optical spectroscopy, DFT\/TD-DFT calculations, 1O2 measurements, and TTA-UC experiments investigate how metalation, bromination, and axial ligation influence triplet-state properties. Ru(II) insertion promotes intersystem crossing, leading to 1O2 quantum yields up to 70%. Bromination further increases \u03a6\u0394 in the free-base and monoaxial complexes. In contrast, PyPX coordination significantly increases \u03a6\u0394 in the nonbrominated system (2A to 3A) but has negligible influence in the brominated analogue (2B to 3B). Complexes 3A\/3B also sensitize TTA-UC, achieving efficiencies of \u223c1.3\u20131.4% with perylene in THF. Collectively, our results establish design principles for Ru(II) porphyrins as triplet sensitizers, enabling control over complementary triplet-driven photochemical processes within a single molecular platform.<\/jats:p>","DOI":"10.1021\/acs.inorgchem.6c03345","type":"journal-article","created":{"date-parts":[[2026,10,13]],"date-time":"2026-10-13T16:06:54Z","timestamp":1791907614000},"page":"24731-24744","source":"Crossref","is-referenced-by-count":0,"title":["Probing Triplet Photochemistry in Ru(II) Porphyrins\nUsing Singlet Oxygen Generation and Triplet\u2013Triplet Annihilation\nUpconversion"],"prefix":"10.1021","volume":"65","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-0447-2473","authenticated-orcid":true,"given":"Aleksandra","family":"Nyga","sequence":"first","affiliation":[{"name":"University of Silesia in Katowice , , 75 Pulku Piechoty 1A , ,","place":["Chorzow, Poland, 41-500"]},{"name":"University of Silesia in Katowice , , Szkolna 9 , ,","place":["Katowice, Poland, 40-006"]},{"name":"Silesian University of Technology , , Strzody 9 , ,","place":["Gliwice, Poland, 44-100"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Marli","family":"Ferreira","sequence":"additional","affiliation":[{"name":"Silesian University of Technology , , Konarskiego 22b , ,","place":["Gliwice, Poland, 44-100"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4103-4154","authenticated-orcid":true,"given":"Piotr","family":"Pander","sequence":"additional","affiliation":[{"name":"Silesian University of Technology , , Strzody 9 , ,","place":["Gliwice, Poland, 44-100"]},{"name":"Silesian University of Technology , , Konarskiego 22b , ,","place":["Gliwice, Poland, 44-100"]},{"name":"Durham University , , South Road , ,","place":["Durham, U.K., DH1 3LE"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ivan","family":"Gusev","sequence":"additional","affiliation":[{"name":"Silesian University of Technology , , Strzody 9 , ,","place":["Gliwice, Poland, 44-100"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8089-2525","authenticated-orcid":true,"given":"Larissa Gomes","family":"Franca","sequence":"additional","affiliation":[{"name":"University of Cambridge , , ,","place":["Cambridge, U.K., CB3 0FS"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0008-7922-2621","authenticated-orcid":true,"given":"Georgina H.","family":"Burgoyne Morris","sequence":"additional","affiliation":[{"name":"University of Cambridge , , ,","place":["Cambridge, U.K., CB3 0FS"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Martyna","family":"Jankowska","sequence":"additional","affiliation":[{"name":"Silesian University of Technology , , Strzody 9 , ,","place":["Gliwice, Poland, 44-100"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Priscila Pazini","family":"Abatti","sequence":"additional","affiliation":[{"name":"Federal University of Santa Catarina , , , ,","place":["Floriano\u0301polis, Santa Catarina, Brazil, 88040-900"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Karol","family":"Erfurt","sequence":"additional","affiliation":[{"name":"Silesian University of Technology , , Strzody 9 , ,","place":["Gliwice, Poland, 44-100"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2956-4857","authenticated-orcid":true,"given":"Rachel C.","family":"Evans","sequence":"additional","affiliation":[{"name":"University of Cambridge , , ,","place":["Cambridge, U.K., CB3 0FS"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Agata","family":"Blacha-Grzechnik","sequence":"additional","affiliation":[{"name":"Silesian University of Technology , , Strzody 9 , ,","place":["Gliwice, Poland, 44-100"]},{"name":"Silesian University of Technology , , Konarskiego 22b , ,","place":["Gliwice, Poland, 44-100"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,10,11]]},"reference":[{"issue":"1","key":"2026102608104937700_cit1","doi-asserted-by":"publisher","first-page":"113","DOI":"10.1063\/1.555934","article-title":"Quantum Yields for the Photosensitized\nFormation of the Lowest Electronically Excited Singlet State of Molecular\nOxygen in Solution","volume":"22","author":"Wilkinson","year":"1993","journal-title":"J. Phys. Chem. Ref. Data"},{"issue":"1","key":"2026102608104937700_cit2","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-022-31288-2","article-title":"Porphyrin as a Versatile Visible-Light-Activatable\nOrganic\/Metal Hybrid Photoremovable Protecting Group","volume":"13","author":"Sekhar","year":"2022","journal-title":"Nat. Commun."},{"issue":"1","key":"2026102608104937700_cit3","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-024-46541-z","article-title":"Molecular\nNear-Infrared Triplet-Triplet Annihilation\nUpconversion with Eigen Oxygen Immunity","volume":"15","author":"Wang","year":"2024","journal-title":"Nat.\nCommun."},{"issue":"28","key":"2026102608104937700_cit4","doi-asserted-by":"publisher","first-page":"8752","DOI":"10.1021\/jacs.6b02176","article-title":"Ultrafast Excited\nState Relaxation of a Metalloporphyrin Revealed by Femtosecond X-Ray\nAbsorption Spectroscopy","volume":"138","author":"Shelby","year":"2016","journal-title":"J. Am. Chem. Soc."},{"issue":"26","key":"2026102608104937700_cit5","doi-asserted-by":"publisher","first-page":"7170","DOI":"10.1039\/D3SC01844J","article-title":"A Near-Infrared Light-Activatable\nRu(II)-Coumarin Photosensitizer Active under Hypoxic Conditions","volume":"14","author":"Ortega-Forte","year":"2023","journal-title":"Chem. Sci."},{"key":"2026102608104937700_cit6","doi-asserted-by":"publisher","first-page":"138","DOI":"10.1016\/0022-2852(61)90236-3","article-title":"Spectra of\nPorphyrins","volume":"6","author":"Gouterman","year":"1961","journal-title":"J. Mol. Spectrosc."},{"issue":"12","key":"2026102608104937700_cit7","doi-asserted-by":"publisher","first-page":"1894","DOI":"10.1021\/jp984807d","article-title":"Theoretical Study of\nthe Q and B Bands of Free-Base, Magnesium, and Zinc Porphyrins, and\nTheir Derivatives","volume":"103","author":"Hashimoto","year":"1999","journal-title":"J. Phys. Chem. A"},{"issue":"17","key":"2026102608104937700_cit8","doi-asserted-by":"publisher","first-page":"10931","DOI":"10.1039\/C7CP01368J","article-title":"Loss Channels\nin Triplet-Triplet\nAnnihilation Photon Upconversion: Importance of Annihilator Singlet\nand Triplet Surface Shapes","volume":"19","author":"Gray","year":"2017","journal-title":"Phys. Chem. Chem.\nPhys."},{"issue":"21\u201322","key":"2026102608104937700_cit9","doi-asserted-by":"publisher","first-page":"2560","DOI":"10.1016\/j.ccr.2010.01.003","article-title":"Photon Upconversion Based on Sensitized Triplet-Triplet\nAnnihilation","volume":"254","author":"Singh-Rachford","year":"2010","journal-title":"Coord. Chem. Rev."},{"issue":"3","key":"2026102608104937700_cit10","doi-asserted-by":"publisher","first-page":"539","DOI":"10.1007\/s43630-024-00538-1","article-title":"Refining Antimicrobial Photodynamic\nTherapy: Effect\nof Charge Distribution and Central Metal Ion in Fluorinated Porphyrins\non Effective Control of Planktonic and Biofilm Bacterial Forms","volume":"23","author":"Pucelik","year":"2024","journal-title":"Photochem. Photobiol. Sci."},{"key":"2026102608104937700_cit11","doi-asserted-by":"publisher","first-page":"917","DOI":"10.3762\/bjoc.16.83","article-title":"Recent Applications of Porphyrins\nas Photocatalysts in Organic Synthesis: Batch and Continuous Flow\nApproaches","volume":"16","author":"e Silva","year":"2020","journal-title":"Beilstein J. Org. Chem."},{"issue":"11","key":"2026102608104937700_cit12","doi-asserted-by":"publisher","first-page":"7549","DOI":"10.1039\/C8CP00884A","article-title":"Singlet and Triplet Energy Transfer\nDynamics in Self-Assembled Axial Porphyrin-Anthracene Complexes: Towards\nSupra-Molecular Structures for Photon Upconversion","volume":"20","author":"Gray","year":"2018","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"12","key":"2026102608104937700_cit13","doi-asserted-by":"publisher","DOI":"10.1002\/cptc.202400077","article-title":"BOPHY Derivatives\nas Phototherapeutic Agents for the Photodynamic Inactivation of Microorganisms","volume":"8","author":"Herna\u0301ndez","year":"2024","journal-title":"ChemPhotoChem"},{"issue":"3","key":"2026102608104937700_cit14","doi-asserted-by":"publisher","first-page":"2712","DOI":"10.3390\/molecules18032712","article-title":"Singlet Oxygen\nin Antimicrobial Photodynamic\nTherapy: Photosensitizer- Dependent Production and Decay in E. Coli","volume":"18","author":"Raga\u0300s","year":"2013","journal-title":"Molecules"},{"issue":"10","key":"2026102608104937700_cit15","doi-asserted-by":"publisher","first-page":"7905","DOI":"10.1039\/D5RA00272A","article-title":"Light-Activated\nAntimicrobial Coatings: The Great Potential of Organic Photosensitizers","volume":"15","author":"Socha","year":"2025","journal-title":"RSC Adv."},{"issue":"25","key":"2026102608104937700_cit16","doi-asserted-by":"publisher","first-page":"6131","DOI":"10.1039\/C6TC01926A","article-title":"Dual Phosphorescent\nDinuclear Transition Metal Complexes,\nand Their Application as Triplet Photosensitizers for TTA Upconversion\nand Photodynamic Therapy","volume":"4","author":"Wang","year":"2016","journal-title":"J. Mater. Chem. C\nMater."},{"issue":"23","key":"2026102608104937700_cit17","doi-asserted-by":"publisher","first-page":"23430","DOI":"10.1021\/acsnano.3c05106","article-title":"Exploration of Thermally Activated Delayed Fluorescence (TADF)-Based\nPhotoredox Catalyst To Establish the Mechanisms of Action for Photodynamic\nTherapy","volume":"17","author":"Zhang","year":"2023","journal-title":"ACS Nano"},{"issue":"14","key":"2026102608104937700_cit18","doi-asserted-by":"publisher","first-page":"8130","DOI":"10.1021\/jacs.3c01042","article-title":"Integration\nof TADF Photosensitizer as \u201cElectron Pump\u201d and BSA as\n\u201cElectron Reservoir\u201d for Boosting Type I Photodynamic\nTherapy","volume":"145","author":"Chen","year":"2023","journal-title":"J. Am. Chem. Soc."},{"key":"2026102608104937700_cit19","doi-asserted-by":"publisher","DOI":"10.1002\/chem.202401001","article-title":"Recent Progress\nin Thermally Activated Delayed Fluorescence\nPhotosensitizers for Photodynamic Therapy","volume":"30","author":"Li","year":"2024","journal-title":"Chem.-Eur.\nJ."},{"issue":"1","key":"2026102608104937700_cit20","doi-asserted-by":"publisher","first-page":"35","DOI":"10.1021\/ml900021y","article-title":"Porphyrin-Apidaecin Conjugate as a New Broad Spectrum Antibacterial\nAgent","volume":"1","author":"Dosselli","year":"2010","journal-title":"ACS Med. Chem. Lett."},{"issue":"10","key":"2026102608104937700_cit21","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1371\/journal.pone.0185984","article-title":"Properties\nof Halogenated and Sulfonated Porphyrins\nRelevant for the Selection of Photosensitizers in Anticancer and Antimicrobial\nTherapies","volume":"12","author":"Pucelik","year":"2017","journal-title":"PLoS One"},{"key":"2026102608104937700_cit22","doi-asserted-by":"publisher","first-page":"1303","DOI":"10.2174\/138161211795703735","article-title":"Drug Discovery of Antimicrobial Photosensitizers\nUsing Animal Models","volume":"17","author":"Sharma","year":"2011","journal-title":"Curr. Pharm. Des."},{"issue":"6","key":"2026102608104937700_cit23","doi-asserted-by":"publisher","first-page":"937","DOI":"10.1039\/c1ra00469g","article-title":"Triplet-Triplet\nAnnihilation Based Upconversion: From\nTriplet Sensitizers and Triplet Acceptors to Upconversion Quantum\nYields","volume":"1","author":"Zhao","year":"2011","journal-title":"RSC Adv."},{"issue":"33","key":"2026102608104937700_cit24","doi-asserted-by":"publisher","first-page":"22049","DOI":"10.1039\/C7CP03840B","article-title":"Triplet-Triplet\nAnnihilation Upconversion\nKinetics of C60-Bodipy Dyads as Organic Triplet Photosensitizers","volume":"19","author":"Wei","year":"2017","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"18","key":"2026102608104937700_cit25","doi-asserted-by":"publisher","first-page":"10061","DOI":"10.1021\/jacs.2c13846","article-title":"Triplet-Triplet\nAnnihilation Upconversion in a Porphyrinic Molecular Container","volume":"145","author":"Chen","year":"2023","journal-title":"J. Am. Chem. Soc."},{"issue":"29","key":"2026102608104937700_cit26","doi-asserted-by":"publisher","first-page":"2530","DOI":"10.1002\/jcc.26027","article-title":"Electronic Structure\nand Optical Properties of Isolated\nand TiO2-Grafted Free Base Porphyrins for Water Oxidation: A Challenging\nTest Case for DFT and TD-DFT","volume":"40","author":"Daoudi","year":"2019","journal-title":"J. Comput. Chem."},{"issue":"26","key":"2026102608104937700_cit27","doi-asserted-by":"publisher","first-page":"8605","DOI":"10.1039\/C7DT03698A","article-title":"Stimuli-Responsive\nProtection of Optically Excited Triplet Ensembles against Deactivation\nby Molecular Oxygen","volume":"47","author":"Nazarova","year":"2018","journal-title":"Dalton Trans."},{"key":"2026102608104937700_cit28","doi-asserted-by":"publisher","first-page":"145","DOI":"10.1146\/annurev-physchem-092722-104952","article-title":"Photochemical Upconversion","volume":"74","author":"Feng","year":"2023","journal-title":"Annu.\nRev. Phys. Chem."},{"issue":"18","key":"2026102608104937700_cit29","doi-asserted-by":"publisher","first-page":"6529","DOI":"10.1039\/D0CS00257G","article-title":"Triplet-Triplet\nAnnihilation Based\nnear Infrared to Visible Molecular Photon Upconversion","volume":"49","author":"Bharmoria","year":"2020","journal-title":"Chem. Soc. Rev."},{"issue":"12","key":"2026102608104937700_cit30","doi-asserted-by":"publisher","DOI":"10.1002\/cptc.202400184","article-title":"Classification\nand\nSummary of Photocatalytic Chemical Reactions Driven by Triplet-Triplet\nAnnihilation Upconversion","volume":"8","author":"Yao","year":"2024","journal-title":"ChemPhotoChem"},{"issue":"8","key":"2026102608104937700_cit31","doi-asserted-by":"publisher","first-page":"3181","DOI":"10.1039\/b926014p","article-title":"Singlet\nOxygen: There Is Indeed Something New under the Sun","volume":"39","author":"Ogilby","year":"2010","journal-title":"Chem. Soc. Rev."},{"issue":"33","key":"2026102608104937700_cit32","doi-asserted-by":"publisher","first-page":"10745","DOI":"10.1021\/jacs.5b06332","article-title":"Fine-Tuning\nof \u03b2-Substitution to Modulate the\nLowest Triplet Excited States: A Bioinspired Approach to Design Phospho-Rescent\nMetalloporphyrinoids","volume":"137","author":"Ke","year":"2015","journal-title":"J. Am. Chem. Soc."},{"issue":"14","key":"2026102608104937700_cit33","doi-asserted-by":"publisher","DOI":"10.3390\/ijms23148041","article-title":"Recent Advances in\nthe Photoreactions Triggered by Porphyrin-Based Triplet\u2013Triplet\nAnnihilation Upconversion Systems: Molecular Innovations and Nanoarchitectonics","volume":"23","author":"Yao","year":"2022","journal-title":"Int. J. Mol. Sci."},{"issue":"17","key":"2026102608104937700_cit34","doi-asserted-by":"publisher","first-page":"9686","DOI":"10.1039\/D1CS00162K","article-title":"Controlling\nthe Triplet States and Their Application in External Stimuli-Responsive\nTriplet-Triplet-Annihilation Photon Upconversion: From the Perspective\nof Excited State Photochemistry","volume":"50","author":"Xiao","year":"2021","journal-title":"Chem. Soc.\nRev."},{"issue":"22","key":"2026102608104937700_cit35","doi-asserted-by":"publisher","first-page":"10345","DOI":"10.1039\/C4CP00744A","article-title":"Triplet-Triplet Annihilation Photon-Upconversion: Towards\nSolar Energy Applications","volume":"16","author":"Gray","year":"2014","journal-title":"Phys. Chem. Chem.\nPhys."},{"issue":"29","key":"2026102608104937700_cit36","doi-asserted-by":"publisher","first-page":"7430","DOI":"10.1021\/acs.jpclett.4c01528","article-title":"Red-to-Blue Triplet-Triplet\nAnnihilation Upconversion for Calcium Sensing","volume":"15","author":"Andreeva","year":"2024","journal-title":"J. Phys. Chem. Lett."},{"issue":"2","key":"2026102608104937700_cit37","doi-asserted-by":"publisher","first-page":"209","DOI":"10.1039\/C1CC16015J","article-title":"Upconversion-Powered\nPhotoelectrochemistry","volume":"48","author":"Khnayzer","year":"2012","journal-title":"Chem. Commun."},{"key":"2026102608104937700_cit38","doi-asserted-by":"publisher","DOI":"10.1016\/j.tsf.2024.140228","article-title":"Improvement in the Upconversion Efficiency\nof an Alternating\nMultilayer Structure Based on 9,10-Bis(4-Methylphenyl) Anthracene\nand Platinum Octaethylporphyrin Vacuum Deposited on an in-Plane Oriented\nPolythiophene Film","volume":"791","author":"Mizokuro","year":"2024","journal-title":"Thin Solid Films"},{"issue":"17","key":"2026102608104937700_cit39","doi-asserted-by":"publisher","first-page":"4668","DOI":"10.1039\/C6CS00092D","article-title":"Protection of Densely Populated Excited\nTriplet State Ensembles against Deactivation by Molecular Oxygen","volume":"45","author":"Filatov","year":"2016","journal-title":"Chem. Soc. Rev."},{"issue":"103","key":"2026102608104937700_cit40","doi-asserted-by":"publisher","first-page":"56","DOI":"10.1021\/ja00391a013","article-title":"Redox Properties\nof Metalloporphyrin Excited States, Lifetimes, and Related Properties\nof a Series of Para-Substituted Tetraphenylporphine Carbonyl Complexes\nof Ruthenium(II)","volume":"103","author":"Rillema","year":"1981","journal-title":"J. Am. Chem. Soc."},{"issue":"21\u201322","key":"2026102608104937700_cit41","doi-asserted-by":"publisher","first-page":"2622","DOI":"10.1016\/j.ccr.2011.01.042","article-title":"The Triplet\nState of Organo-Transition Metal Compounds. Triplet Harvesting and\nSinglet Harvesting for Efficient OLEDs","volume":"255","author":"Yersin","year":"2011","journal-title":"Coord.\nChem. Rev."},{"issue":"9","key":"2026102608104937700_cit42","doi-asserted-by":"publisher","first-page":"4123","DOI":"10.1021\/acs.jctc.7b00379","article-title":"Assessing Excited State Energy Gaps with Time-Dependent\nDensity Functional Theory on Ru(II) Complexes","volume":"13","author":"Atkins","year":"2017","journal-title":"J. Chem. Theory Comput."},{"issue":"1","key":"2026102608104937700_cit43","doi-asserted-by":"publisher","first-page":"59","DOI":"10.1039\/D0CP05108J","article-title":"Behind the\nScenes of Spin-Forbidden Decay Pathways in Transition Metal Complexes","volume":"23","author":"Moitra","year":"2021","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"22","key":"2026102608104937700_cit44","doi-asserted-by":"publisher","first-page":"2840","DOI":"10.1039\/b501779c","article-title":"Photomodulation\nof Lewis Basicity in a Pyridine-Functionalized\n1,2-Dithienylcyclopentene","author":"Samachetty","year":"2005","journal-title":"Chem. 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