{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,15]],"date-time":"2026-10-15T04:49:19Z","timestamp":1792039759297,"version":"4.4.0"},"reference-count":60,"publisher":"Wiley","license":[{"start":{"date-parts":[[2026,10,14]],"date-time":"2026-10-14T00:00:00Z","timestamp":1791936000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,10,14]],"date-time":"2026-10-14T00:00:00Z","timestamp":1791936000000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chemistry A European J"],"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    Cobalt (Co) complexes of porphyrin derivatives possess distinctive redox properties, and hence, their development has attracted significant interest across a wide range of fields. Herein, we report the new examples of the Co complexes of 5,15\u2010diazaporphyrin (DAP) and 5\u2010monoazaporphyrin (MAP) derivatives bearing\n                    <jats:italic>meso<\/jats:italic>\n                    \u2010aryl groups. These Co complexes were prepared by metal\u2010templated cyclization of Co\u2013bis(dipyrrin) complexes, complexation of azaporphyrin freebases with a Co salt, and\n                    <jats:italic>meso<\/jats:italic>\n                    \u2010N\u2010functionalization of the Co complexes of DAP and MAP with diphenyliodonium hexafluorophosphate or methyl triflate. The structures as well as the optical and redox properties of these new Co complexes were elucidated by X\u2010ray crystallography, spectroscopic and voltammetric measurements, and density functional theory calculations. The introduction of a positive charge to the DAP and MAP rings via\n                    <jats:italic>meso<\/jats:italic>\n                    \u2010N\u2010functionalization considerably altered the frontier\u2010orbital energies, resulting in redshifts of the Q bands and anodic shifts of the ligand\u2010centered redox processes. The addition of axial ligands also had notable effects on the metal\u2010centered and ligand\u2010centered redox processes. All the Co\n                    <jats:sup>II<\/jats:sup>\n                    complexes catalyzed the intramolecular radical cyclization and 1,2\u2010H\u2010shift reactions of\n                    <jats:italic>N<\/jats:italic>\n                    \u2010benzyl\u2010\n                    <jats:italic>N<\/jats:italic>\n                    \u2010Boc\u20103\u2010diazopropane\u20101\u2010amine in the presence of Cs\n                    <jats:sub>2<\/jats:sub>\n                    CO\n                    <jats:sub>3<\/jats:sub>\n                    to yield two kinds of products via the corresponding \u03c3\u2010bonded alkyl Co\u2010azaporphyrin intermediates.\n                  <\/jats:p>","DOI":"10.1002\/chem.71782","type":"journal-article","created":{"date-parts":[[2026,10,15]],"date-time":"2026-10-15T04:36:50Z","timestamp":1792039010000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Synthesis, Electrochemical Behavior, and Catalytic Activity of Cobalt Complexes of 5,15\u2010Diazaporphyrin and 5\u2010Monoazaporphyrin Derivatives Bearing\n                    <i>Meso<\/i>\n                    \u2010Aryl Groups"],"prefix":"10.1002","author":[{"given":"Momo","family":"Kaneko","sequence":"first","affiliation":[{"name":"Department of Fundamental Sciences Graduate School of Science and Technology Niigata University  Nishi\u2010ku Niigata Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yui","family":"Wakasa","sequence":"additional","affiliation":[{"name":"Department of Chemistry College of Science Rikkyo University  Toshima\u2010ku Tokyo Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8321-0318","authenticated-orcid":false,"given":"Mao","family":"Minoura","sequence":"additional","affiliation":[{"name":"Department of Chemistry College of Science Rikkyo University  Toshima\u2010ku Tokyo Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7665-8296","authenticated-orcid":false,"given":"Ko","family":"Furukawa","sequence":"additional","affiliation":[{"name":"Center for Coordination of Research Facilities Institute for Research Administration Niigata University  Nishi\u2010ku Niigata Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7008-0312","authenticated-orcid":false,"given":"Haruyuki","family":"Nakano","sequence":"additional","affiliation":[{"name":"Department of Chemistry Graduate School of Science Kyushu University  Nishi\u2010ku Fukuoka Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3377-0004","authenticated-orcid":false,"given":"Yoshihiro","family":"Matano","sequence":"additional","affiliation":[{"name":"Department of Chemistry Faculty of Science Niigata University  Nishi\u2010ku Niigata Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,10,14]]},"reference":[{"key":"e_1_2_8_2_1","doi-asserted-by":"crossref","first-page":"2260","DOI":"10.1021\/ac60363a052","article-title":"Electrochemistry of Cobalt Tetraphenylporphyrin in Aprotic Media","volume":"47","author":"Truxillo L. A.","year":"1975","journal-title":"Analytical Chemistry"},{"key":"e_1_2_8_3_1","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1021\/ar00091a001","article-title":"The Electrochemistry of Vitamin B12","volume":"16","author":"Lexa D.","year":"1983","journal-title":"Accounts of Chemical Research"},{"key":"e_1_2_8_4_1","doi-asserted-by":"crossref","first-page":"1689","DOI":"10.1016\/0013-4686(95)00423-8","article-title":"Heat\u2010treated Iron and Cobalt Tetraphenylporphyrins Adsorbed on Carbon Black: Physical Characterization and Catalytic Properties of These Materials for the Reduction of Oxygen in Polymer Electrolyte Fuel Cells","volume":"41","author":"Faubert G.","year":"1996","journal-title":"Electrochimica Acta"},{"key":"e_1_2_8_5_1","doi-asserted-by":"crossref","first-page":"1424","DOI":"10.1021\/jacs.6b12404","article-title":"A Self\u2010Assembled Cofacial Cobalt Porphyrin Prism for Oxygen Reduction Catalysis","volume":"139","author":"Oldacre A. N.","year":"2017","journal-title":"Journal of the American Chemical Society"},{"key":"e_1_2_8_6_1","doi-asserted-by":"crossref","first-page":"13613","DOI":"10.1021\/acs.inorgchem.7b02405","article-title":"Cobalt Tetrabutano\u2010 and Tetrabenzotetraarylporphyrin Complexes: Effect of Substituents on the Electrochemical Properties and Catalytic Activity of Oxygen Reduction Reactions","volume":"56","author":"Ye L.","year":"2017","journal-title":"Inorganic Chemistry"},{"key":"e_1_2_8_7_1","doi-asserted-by":"crossref","first-page":"4902","DOI":"10.1002\/anie.201916131","article-title":"Supramolecular Tuning Enables Selective Oxygen Reduction Catalyzed by Cobalt Porphyrins for Direct Electrosynthesis of Hydrogen Peroxide","volume":"59","author":"Smith P. T.","year":"2020","journal-title":"Angewandte Chemie International Edition"},{"key":"e_1_2_8_8_1","doi-asserted-by":"crossref","first-page":"933","DOI":"10.1021\/jacs.5c16648","article-title":"Thermodynamic vs Kinetic Control of the Oxygen Reduction Reaction With Iron and Cobalt Porphyrin Atropisomers","volume":"148","author":"Qin H.","year":"2026","journal-title":"Journal of the American Chemical Society"},{"key":"e_1_2_8_9_1","doi-asserted-by":"crossref","first-page":"1124","DOI":"10.1021\/ic50183a006","article-title":"Reactions of Pyridine With a Series of Para\u2010Substituted Tetraphenylporphyrincobalt and Iron Complexes","volume":"17","author":"Kadish K. M.","year":"1978","journal-title":"Inorganic Chemistry"},{"key":"e_1_2_8_10_1","doi-asserted-by":"crossref","first-page":"4161","DOI":"10.1021\/ic00272a006","article-title":"Chloride\u2010binding Reactions and Electrochemistry of (tetraphenylporphyrinato)Cobalt and Chloro(tetraphenylporphyrinato)Cobalt in Dichloromethane","volume":"26","author":"Kadish K. M.","year":"1987","journal-title":"Inorganic Chemistry"},{"key":"e_1_2_8_11_1","doi-asserted-by":"crossref","first-page":"6292","DOI":"10.1021\/ic970789n","article-title":"Electrooxidation of Cobalt(II) \u03b2\u2010Brominated\u2010Pyrrole Tetraphenylporphyrins in CH2Cl2 Under an N2 or a CO Atmosphere","volume":"36","author":"Kadish K. M.","year":"1997","journal-title":"Inorganic Chemistry"},{"key":"e_1_2_8_12_1","doi-asserted-by":"crossref","first-page":"2880","DOI":"10.1021\/ja973257e","article-title":"Electron Transfer Mechanism of Organocobalt Porphyrins. Site of Electron Transfer, Migration of Organic Groups, and Cobalt\u2212Carbon Bond Energies in Different Oxidation States","volume":"120","author":"Fukuzumi S.","year":"1998","journal-title":"Journal of the American Chemical Society"},{"key":"e_1_2_8_13_1","doi-asserted-by":"crossref","first-page":"910","DOI":"10.1002\/cjoc.201600226","article-title":"Origin of D\u2010\u03c0 Interaction in Cobalt(II) Porphyrins Under Synergistic Effects of Core Contraction and Axial Ligation: Implications for a Ligand Effect of Natural Distorted Tetrapyrrole","volume":"34","author":"Liu Q.","year":"2016","journal-title":"Chinese Journal of Chemistry"},{"key":"e_1_2_8_14_1","doi-asserted-by":"crossref","first-page":"1490","DOI":"10.1021\/acs.inorgchem.7b02856","article-title":"Electrochemistry and Spectroelectrochemistry of Cobalt Porphyrins With \u03c0\u2010Extending and\/or Highly Electron\u2010Withdrawing Pyrrole Substituents. In Situ Electrogeneration of \u03c3\u2010Bonded Complexes","volume":"57","author":"Ke X.","year":"2018","journal-title":"Inorganic Chemistry"},{"key":"e_1_2_8_15_1","doi-asserted-by":"crossref","first-page":"343","DOI":"10.1002\/ajoc.201900625","article-title":"Recent Advances in Four\u2010Coordinated Planar Cobalt Catalysis in Organic Synthesis","volume":"9","author":"Michiyuki T.","year":"2020","journal-title":"Asian Journal of Organic Chemistry"},{"key":"e_1_2_8_16_1","doi-asserted-by":"crossref","first-page":"8518","DOI":"10.1021\/ja203434c","article-title":"Experimental Evidence for Cobalt(III)\u2010Carbene Radicals: Key Intermediates in Cobalt(II)\u2010Based Metalloradical Cyclopropanation","volume":"133","author":"Lu H.","year":"2011","journal-title":"Journal of the American Chemical Society"},{"key":"e_1_2_8_17_1","doi-asserted-by":"crossref","first-page":"12264","DOI":"10.1021\/ja204800a","article-title":"Mechanism of Cobalt(II) Porphyrin\u2010Catalyzed C\u2013H Amination With Organic Azides: Radical Nature and H\u2010Atom Abstraction Ability of the Key Cobalt(III)\u2013Nitrene Intermediates","volume":"133","author":"Lyaskovskyy V.","year":"2011","journal-title":"Journal of the American Chemical Society"},{"key":"e_1_2_8_18_1","doi-asserted-by":"crossref","first-page":"5309","DOI":"10.1002\/anie.201209599","article-title":"Effective Synthesis of Chiral N\u2010Fluoroaryl Aziridines Through Enantioselective Aziridination of Alkenes With Fluoroaryl Azides","volume":"52","author":"Jin L.\u2010M.","year":"2013","journal-title":"Angewandte Chemie International Edition"},{"key":"e_1_2_8_19_1","doi-asserted-by":"crossref","first-page":"12953","DOI":"10.1002\/chem.201301731","article-title":"Carbene Radicals in Cobalt(II)\u2013Porphyrin\u2010Catalysed Carbene Carbonylation Reactions; a Catalytic Approach to Ketenes","volume":"19","author":"Paul N. D.","year":"2013","journal-title":"Chemistry\u2013A European Journal"},{"key":"e_1_2_8_20_1","doi-asserted-by":"crossref","first-page":"7945","DOI":"10.1002\/chem.201700358","article-title":"Cobalt\u2010Porphyrin\u2010Catalysed Intramolecular Ring\u2010Closing C\u2212H Amination of Aliphatic Azides: A Nitrene\u2010Radical Approach to Saturated Heterocycles","volume":"23","author":"Kuijpers P. F.","year":"2017","journal-title":"Chemistry\u2013A European Journal"},{"key":"e_1_2_8_21_1","doi-asserted-by":"crossref","first-page":"4792","DOI":"10.1021\/jacs.8b01662","article-title":"Enantioselective Radical Cyclization for Construction of 5\u2010Membered Ring Structures by Metalloradical C\u2013H Alkylation","volume":"140","author":"Wang Y.","year":"2018","journal-title":"Journal of the American Chemical Society"},{"key":"e_1_2_8_22_1","doi-asserted-by":"crossref","first-page":"5082","DOI":"10.1039\/C8SC01476K","article-title":"Enantioselective Radical Process for Synthesis of Chiral Indolines by Metalloradical Alkylation of Diverse C(sp3)\u2013H Bonds","volume":"9","author":"Wen X.","year":"2018","journal-title":"Chemical Science"},{"key":"e_1_2_8_23_1","doi-asserted-by":"crossref","first-page":"5253","DOI":"10.1002\/chem.201704626","article-title":"Catalytic Synthesis of Indolines by Hydrogen Atom Transfer to Cobalt(III)\u2013Carbene Radicals","volume":"24","author":"Karns A. S.","year":"2018","journal-title":"Chemistry\u2013A European Journa"},{"key":"e_1_2_8_24_1","doi-asserted-by":"crossref","first-page":"5658","DOI":"10.1002\/chem.201900587","article-title":"[Co(TPP)]\u2010Catalyzed Formation of Substituted Piperidines","volume":"25","author":"Lankelma M.","year":"2019","journal-title":"Chemistry\u2013A European Journal"},{"key":"e_1_2_8_25_1","doi-asserted-by":"crossref","DOI":"10.1002\/anie.202320243","article-title":"Metalloradical Catalysis: General Approach for Controlling Reactivity and Selectivity of Homolytic Radical Reactions","volume":"63","author":"Lee W.\u2010C. C.","year":"2024","journal-title":"Angewandte Chemie International Edition"},{"key":"e_1_2_8_26_1","doi-asserted-by":"crossref","first-page":"93","DOI":"10.1021\/jacs.5c19047","article-title":"Enantioselective Intramolecular C\u2013H Alkylation Catalyzed by a Nonsymmetric Chiral Cobalt Porphyrin","volume":"148","author":"Buchelt C.","year":"2026","journal-title":"Journal of the American Chemical Society"},{"key":"e_1_2_8_27_1","doi-asserted-by":"crossref","first-page":"1621","DOI":"10.1002\/ejic.200300825","article-title":"Absorption, Magnetic Circular Dichroism, IR Spectra, Electrochemistry, and Molecular Orbital Calculations of Monoaza\u2010 and Opposite Diazaporphyrins","volume":"2004","author":"Ogata H.","year":"2004","journal-title":"European Journal of Inorganic Chemistry"},{"key":"e_1_2_8_28_1","doi-asserted-by":"crossref","first-page":"3136","DOI":"10.1002\/chem.201002176","article-title":"Phthalocyanine Analogues: Unexpectedly Facile Access to Non\u2010Peripherally Substituted Octaalkyl Tetrabenzotriazaporphyrins, Tetrabenzodiazaporphyrins, Tetrabenzomonoazaporphyrins and Tetrabenzoporphyrins","volume":"17","author":"Cammidge A. N.","year":"2011","journal-title":"Chemistry\u2013A European Journal"},{"key":"e_1_2_8_29_1","doi-asserted-by":"crossref","first-page":"5329","DOI":"10.1021\/acs.inorgchem.5b00380","article-title":"Tetrabenzoporphyrin and \u2010mono\u2010, \u2010cis\u2010di\u2010 and Tetrabenzotriazaporphyrin Derivatives: Electrochemical and Spectroscopic Implications of Meso CH Group Replacement With Nitrogen","volume":"54","author":"As A.","year":"2015","journal-title":"Inorganic Chemistry"},{"key":"e_1_2_8_30_1","doi-asserted-by":"crossref","first-page":"41","DOI":"10.1016\/0010-8545(94)01126-5","article-title":"Azaporphyrins: Structure of the Reaction Centre and Reactions of Complex Formation","volume":"147","author":"Stuzhin P. A.","year":"1996","journal-title":"Coordination Chemistry Reviews"},{"key":"e_1_2_8_31_1","doi-asserted-by":"crossref","first-page":"3138","DOI":"10.1021\/acs.chemrev.6b00460","article-title":"Synthesis of Aza\u2010, Oxa\u2010, and Thiaporphyrins and Related Compounds","volume":"117","author":"Matano Y.","year":"2017","journal-title":"Chemical Reviews"},{"key":"e_1_2_8_32_1","doi-asserted-by":"crossref","first-page":"7828","DOI":"10.1021\/acs.inorgchem.4c00436","article-title":"Surprising Route to a Monoazaporphyrin and Full Characterization of Its Complexes With Five Different 3d Metals","volume":"63","author":"Raslin A.","year":"2024","journal-title":"Inorganic Chemistry"},{"key":"e_1_2_8_33_1","doi-asserted-by":"crossref","DOI":"10.1002\/asia.202200305","article-title":"Stepwise N\u2010Methylation of Ruthenium and Cobalt 5,15\u2010Diazaporphyrins: Post\u2010Functionalization of Porphyrinoid Catalysts","volume":"17","author":"Nishijo M.","year":"2022","journal-title":"Chemistry\u2013An Asian Journal"},{"key":"e_1_2_8_34_1","doi-asserted-by":"crossref","first-page":"2235","DOI":"10.1002\/anie.201510734","article-title":"Redox\u2010Switchable 20\u03c0\u2010, 19\u03c0\u2010, and 18\u03c0\u2010Electron 5,10,15,20\u2010Tetraaryl\u20105,15\u2010diazaporphyrinoid Nickel(II) Complexes","volume":"55","author":"Satoh T.","year":"2016","journal-title":"Angewandte Chemie International Edition"},{"key":"e_1_2_8_35_1","doi-asserted-by":"crossref","first-page":"16364","DOI":"10.1002\/chem.201703664","article-title":"Syntheses, Properties, and Catalytic Activities of Metal(II) Complexes and Free Bases of Redox\u2010Switchable 20\u03c0, 19\u03c0, and 18\u03c0 5,10,15,20\u2010Tetraaryl\u20105,15\u2010diazaporphyrinoids","volume":"23","author":"Sudoh K.","year":"2017","journal-title":"Chemistry\u2013A European Journal"},{"key":"e_1_2_8_36_1","doi-asserted-by":"crossref","first-page":"2283","DOI":"10.1021\/acs.joc.0c02433","article-title":"Doubly Strapped Redox\u2010Switchable 5,10,15,20\u2010Tetraaryl\u20105,15\u2010diazaporphyrinoids: Promising Platforms for the Evaluation of Paratropic and Diatropic Ring\u2010Current Effects","volume":"86","author":"Ochiai H.","year":"2021","journal-title":"The Journal of Organic Chemistry"},{"key":"e_1_2_8_37_1","doi-asserted-by":"crossref","first-page":"427","DOI":"10.1246\/bcsj.20220002","article-title":"Copper(II) Complexes of 10,20\u2010Diaryl\u20105,15\u2010diazaporphyrin: Alternative Synthesis, Excited State Dynamics, and Substituent Effect on the 1O2\u2010Generation Efficiency","volume":"95","author":"Ochiai H.","year":"2022","journal-title":"Bulletin of the Chemical Society of Japan"},{"key":"e_1_2_8_38_1","doi-asserted-by":"crossref","first-page":"3034","DOI":"10.1039\/D3OB00274H","article-title":"Recent Advances in the Synthesis of Diazaporphyrins and Their Chalcogen Derivatives","volume":"21","author":"Matano Y.","year":"2023","journal-title":"Organic and Biomolecular Chemistry"},{"key":"e_1_2_8_39_1","doi-asserted-by":"crossref","DOI":"10.1093\/bulcsj\/uoad022","article-title":"Improved Synthesis of Free Bases of 5,10,15,20\u2010tetraaryl\u20105,15\u2010diazaporphyrinoid for Conversion to Silicon(IV) Complexes","volume":"97","author":"Suzuki H.","year":"2024","journal-title":"Bulletin of the Chemical Society of Japan"},{"key":"e_1_2_8_40_1","doi-asserted-by":"crossref","first-page":"3839","DOI":"10.1021\/acs.orglett.2c01411","article-title":"Synthesis, Electrochemical Behavior, and Catalytic Activity of Cobalt Complexes of 5,10,15,20\u2010Tetraaryl\u20105,15\u2010diazaporphyrinoids","volume":"24","author":"Satoh Y.","year":"2022","journal-title":"Organic Letters"},{"key":"e_1_2_8_41_1","doi-asserted-by":"crossref","first-page":"7084","DOI":"10.1021\/jp0671749","article-title":"Density Functional Theory Study of Transitional Metal Macrocyclic Complexes' Dioxygen\u2010Binding Abilities and Their Catalytic Activities Toward Oxygen Reduction Reaction","volume":"111","author":"Shi Z.","year":"2007","journal-title":"The Journal of Physical Chemistry C"},{"key":"e_1_2_8_42_1","doi-asserted-by":"crossref","first-page":"70","DOI":"10.1021\/ci00011a011","article-title":"Crystallographic Studies of Inter\u2010 and Intramolecular Interactions Reflected in Aromatic Character of pi\u2010electron Systems","volume":"33","author":"Krygowski T. M.","year":"1993","journal-title":"Journal of Chemical Information and Computer Sciences"},{"key":"e_1_2_8_43_1","doi-asserted-by":"crossref","first-page":"203","DOI":"10.1021\/ci00024a006","article-title":"Aromatic Character of the Benzene Ring Present in Various Topological Environments in Benzenoid Hydrocarbons. Nonequivalence of Indices of Aromaticity","volume":"35","author":"Krygowski T. M.","year":"1995","journal-title":"Journal of Chemical Information and Computer Sciences"},{"key":"e_1_2_8_44_1","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1002\/(SICI)1521-3773(19980202)37:1\/2<177::AID-ANIE177>3.0.CO;2-H","article-title":"Global and Local Aromaticity in Porphyrins: An Analysis Based on Molecular Geometries and Nucleus\u2010Independent Chemical Shifts","volume":"37","author":"Cyra\u00f1ski M. K.","year":"1998","journal-title":"Angewandte Chemie International Edition"},{"key":"e_1_2_8_45_1","doi-asserted-by":"crossref","first-page":"6317","DOI":"10.1021\/ja960582d","article-title":"Nucleus\u2010Independent Chemical Shifts:\u2009 a Simple and Efficient Aromaticity Probe","volume":"118","author":"Schleyer P. V. R.","year":"1996","journal-title":"Journal of the American Chemical Society"},{"key":"e_1_2_8_46_1","doi-asserted-by":"crossref","first-page":"3842","DOI":"10.1021\/cr030088+","article-title":"Nucleus\u2010Independent Chemical Shifts (NICS) as an Aromaticity Criterion","volume":"105","author":"Chen Z.","year":"2005","journal-title":"Chemical Reviews"},{"key":"e_1_2_8_47_1","doi-asserted-by":"crossref","first-page":"542","DOI":"10.1142\/S1088424618500529","article-title":"Redox switchable 19\u03c0 and 18\u03c0 5,10,20\u2010triaryl\u20105,15\u2010 diazaporphyrinoid\u2013nickel(II) Complexes","volume":"22","author":"Sudoh K.","year":"2018","journal-title":"Journal of Porphyrins and Phthalocyanines"},{"key":"e_1_2_8_48_1","doi-asserted-by":"crossref","first-page":"42","DOI":"10.1016\/j.jmr.2005.08.013","article-title":"EasySpin, a Comprehensive Software Package for Spectral Simulation and Analysis in EPR","volume":"178","author":"Stoll S.","year":"2006","journal-title":"Journal of Magnetic Resonance"},{"key":"e_1_2_8_49_1","doi-asserted-by":"crossref","first-page":"1425","DOI":"10.1142\/S1088424623501079","article-title":"\u03b2\u2010Unsubstituted 5\u2010Monoazaporphyrin and its Derivatives","volume":"27","author":"Yuan R.","year":"2023","journal-title":"Journal of Porphyrins and Phthalocyanines"},{"key":"e_1_2_8_50_1","doi-asserted-by":"crossref","first-page":"650","DOI":"10.1063\/1.438955","article-title":"Self\u2010consistent Molecular Orbital Methods. XX. A Basis Set for Correlated Wave Functions","volume":"72","author":"Krishnan R.","year":"1980","journal-title":"Journal of Chemical Physics"},{"key":"e_1_2_8_51_1","doi-asserted-by":"crossref","first-page":"1033","DOI":"10.1063\/1.1673095","article-title":"Gaussian Basis Set for Molecular Wavefunctions Containing Third\u2010Row Atoms","volume":"52","author":"Wachters A. J. H.","year":"1970","journal-title":"Journal of Chemical Physics"},{"key":"e_1_2_8_52_1","doi-asserted-by":"crossref","first-page":"4377","DOI":"10.1063\/1.433731","article-title":"Gaussian Basis Sets for Molecular Calculations. The Representation of 3d Orbitals in Transition\u2010metal Atoms","volume":"66","author":"Hay P. J.","year":"1977","journal-title":"Journal of Chemical Physics"},{"key":"e_1_2_8_53_1","doi-asserted-by":"crossref","first-page":"1062","DOI":"10.1063\/1.457230","article-title":"Highly correlated systems. Excitation energies of first row transition metals Sc\u2013Cu","volume":"91","author":"Raghavachari K.","year":"1989","journal-title":"Journal of Chemical Physics"},{"key":"e_1_2_8_54_1","doi-asserted-by":"crossref","first-page":"5648","DOI":"10.1063\/1.464913","article-title":"Density\u2010Functional Thermochemistry. III. The Role of Exact Exchange","volume":"98","author":"Becke A. D.","year":"1993","journal-title":"Journal of Chemical Physics"},{"key":"e_1_2_8_55_1","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1103\/PhysRevB.37.785","article-title":"Development of the Colle\u2010Salvetti Correlation\u2010energy Formula Into a Functional of the Electron Density","volume":"37","author":"Lee C.","year":"1988","journal-title":"Physical Review B"},{"key":"e_1_2_8_56_1","doi-asserted-by":"crossref","first-page":"3032","DOI":"10.1063\/1.474659","article-title":"A New Integral Equation Formalism for the Polarizable Continuum Model: Theoretical Background and Applications to Isotropic and Anisotropic Dielectrics","volume":"107","author":"Canc\u00e8s E.","year":"1997","journal-title":"Journal of Chemical Physics"},{"key":"e_1_2_8_57_1","doi-asserted-by":"crossref","first-page":"2257","DOI":"10.1063\/1.1677527","article-title":"Self\u2010Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian\u2010Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules","volume":"56","author":"Hehre W. J.","year":"1972","journal-title":"Journal of Chemical Physics"},{"key":"e_1_2_8_58_1","doi-asserted-by":"crossref","first-page":"213","DOI":"10.1007\/BF00533485","article-title":"The Influence of Polarization Functions on Molecular Orbital Hydrogenation Energies","volume":"28","author":"Hariharan P. C.","year":"1973","journal-title":"Theoretica Chimica Acta"},{"key":"e_1_2_8_59_1","doi-asserted-by":"crossref","first-page":"294","DOI":"10.1002\/jcc.540040303","article-title":"Efficient Diffuse Function\u2010augmented Basis Sets for Anion Calculations. III. The 3\u201321+G Basis Set for First\u2010Row Elements, Li\u2013F","volume":"4","author":"Clark T.","year":"1983","journal-title":"Journal of Computational Chemistry"},{"key":"e_1_2_8_60_1","doi-asserted-by":"crossref","first-page":"1223","DOI":"10.1063\/1.476673","article-title":"6\u201031G* Basis Set for Atoms K Through Zn","volume":"109","author":"Rassolov V. A.","year":"1998","journal-title":"Journal of Chemical Physics"},{"key":"e_1_2_8_61_1","volume-title":"Gaussian 16","author":"Frisch M. J.","year":"2019"}],"container-title":["Chemistry \u2013 A European Journal"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/chem.71782","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/full-xml\/10.1002\/chem.71782","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/chem.71782","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,10,15]],"date-time":"2026-10-15T04:37:06Z","timestamp":1792039026000},"score":1,"resource":{"primary":{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/10.1002\/chem.71782"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,10,14]]},"references-count":60,"alternative-id":["10.1002\/chem.71782"],"URL":"https:\/\/doi.org\/10.1002\/chem.71782","archive":["Portico"],"relation":{},"ISSN":["0947-6539","1521-3765"],"issn-type":[{"value":"0947-6539","type":"print"},{"value":"1521-3765","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,10,14]]},"assertion":[{"value":"2026-09-03","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2026-09-30","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2026-10-14","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}],"article-number":"e71782"}}