Inorganic Chemistry最新文献

Tuning the Electrical Conductivity of Bimetallic Co-Mn-Based MOFs via Precisely Regulating the Atomic Content of Metal Centers and Study on Their Dye Adsorption Properties. 通过精确调节金属中心原子含量来调节双金属co - mn基mof的电导率及其染料吸附性能研究。

IF 4.6 2区化学

Inorganic Chemistry Pub Date : 2025-07-25 DOI: 10.1021/acs.inorgchem.5c02394

Uddit Narayan Hazarika,Karishma Sonowal,Abu Talat Tahir Mostako,Prithiviraj Khakhlary

{"title":"Tuning the Electrical Conductivity of Bimetallic Co-Mn-Based MOFs via Precisely Regulating the Atomic Content of Metal Centers and Study on Their Dye Adsorption Properties.","authors":"Uddit Narayan Hazarika,Karishma Sonowal,Abu Talat Tahir Mostako,Prithiviraj Khakhlary","doi":"10.1021/acs.inorgchem.5c02394","DOIUrl":"https://doi.org/10.1021/acs.inorgchem.5c02394","url":null,"abstract":"Conductive metal organic frameworks (MOFs) are considered as next-generation conducting materials. However, imparting conductivity to this class of materials faces significant challenges owing to their inherently insulating nature. Therefore, herein, a series of isostructural conductive bimetallic MOFs with the structural formula {[(CH3)2NH2][MnxCoy(HCOO)6]} (x = 1, y = 0.2-3.32) were developed. Decomposition of dimethylformamide under solvothermal conditions resulted in a formate ligand and dimethylammonium (DMA) cations, responsible for construction of MOFs and proton conductivity, respectively. The conductivity was also attributed to electron flow through the metal-ligand bonds. MOF1 with a 1:1 Mn/Co ratio showed conductivity as high as 19.73 S cm-1 at 25 °C. Notably, the conductivity may be tuned via regulating the metal content; varying the Mn/Co ratio from 1:0.20 to 1:3.32 resulted in MOFs with conductivities from 0.08 to 19.73 S cm-1 at 25 °C. Even after removal of DMA molecules from pores, the conductivities of the MOFs were impressive owing to the enhanced electron density difference between the metal centers as a result of oxidation of Co2+ to maintain the charge neutrality of the framework. Additionally, the MOFs were found to be effective adsorbents of anionic dyes such as methyl blue owing to the presence of positively charged guests in the pores and free electrons in the frameworks.","PeriodicalId":40,"journal":{"name":"Inorganic Chemistry","volume":"14 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144701056","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Modulation of the Charge Carriers Transfer Pathway for Enhanced Piezocatalytic H2 Production and Dye Degradation. 调节载流子转移途径增强压催化制氢和染料降解。

IF 4.6 2区化学

Inorganic Chemistry Pub Date : 2025-07-25 DOI: 10.1021/acs.inorgchem.5c02100

Xiangge Wang,Xiaoxiao Lu,Wen-Jie Chen,Chunmei Xiao,Miaoling Huang,Xiaoyang Pan,Bo Weng,Shijing Liang

{"title":"Modulation of the Charge Carriers Transfer Pathway for Enhanced Piezocatalytic H2 Production and Dye Degradation.","authors":"Xiangge Wang,Xiaoxiao Lu,Wen-Jie Chen,Chunmei Xiao,Miaoling Huang,Xiaoyang Pan,Bo Weng,Shijing Liang","doi":"10.1021/acs.inorgchem.5c02100","DOIUrl":"https://doi.org/10.1021/acs.inorgchem.5c02100","url":null,"abstract":"In recent years, piezo-catalytic hydrogen production has been widely investigated for potential applications. Despite various strategies having been utilized to enhance the performance of piezocatalysts, there is a scant report on improving catalytic activity through the modulation of carrier migration pathways. Herein, we have successfully synthesized BiOCl with exposed {001} and {010} facets through facet engineering. The built-in electric field within the BiOCl crystals is oriented perpendicular to the {001} facets and parallel to the {010} facets, leading to differing charge carrier transfer pathways in the two samples. Specifically, in the BiOCl-010 sample, due to the electric field parallel to the nanosheet plane, charge carriers migrate along the x-axis. In contrast, in the BiOCl-001 sample, the electric field is perpendicular to the nanosheet plane, causing charge carriers to transfer along the z-axis, resulting in a shorter charge carrier migration distance. Consequently, BiOCl-001 demonstrates superior piezo-catalytic performance compared to BiOCl-010 toward H2 production and dye degradation. Both samples exhibit identical morphologies and similar energy band structures. Therefore, the enhanced performance is attributed to its shorter charge transport distance as well as the relatively higher piezoelectric coefficient associated with the {001} facets of BiOCl, which facilitates effective carrier separation.","PeriodicalId":40,"journal":{"name":"Inorganic Chemistry","volume":"15 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144701047","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Identity of Oxygen-Rich Nickel Oxides as Oxosuperoxides and Oxoperoxides and Their Heterostructures. 富氧镍氧化物氧超氧化物和氧过氧化物的性质及其异质结构。

IF 4.6 2区化学

Inorganic Chemistry Pub Date : 2025-07-25 DOI: 10.1021/acs.inorgchem.5c01477

Radovan Bujdák,Mariana Derzsi,Kamil Tokár

{"title":"Identity of Oxygen-Rich Nickel Oxides as Oxosuperoxides and Oxoperoxides and Their Heterostructures.","authors":"Radovan Bujdák,Mariana Derzsi,Kamil Tokár","doi":"10.1021/acs.inorgchem.5c01477","DOIUrl":"https://doi.org/10.1021/acs.inorgchem.5c01477","url":null,"abstract":"The chemical identity of oxygen-rich nickel oxides was investigated employing Density Functional Theory calculations performed for Ni-substituted transition-metal pentoxides M2O5, which have the potential to host M5+ species, while the ground-state structure was predicted using evolutionary algorithms for crystal structure prediction. Our results have shown that Ni5+ is unlikely to stabilize in the oxide environment and will immediately reduce to more stable nickel oxidation states (Ni4+-Ni2+) through the formation of molecular oxygen species, while both superoxide and peroxide species are equally likely. The resulting oxoperoxide and oxosuperoxide phases represent oxygen-enriched versions of the already well-known or long-suspected binary nickel oxides (NiO, Ni2O3, NiO2) and their heterostructures including O2-decorated rock salt NiO, O-enriched layered CdI2-type NiO2, a der Waals heterostructure of NiO2 and NiO(O2) as well as the monoclinic C2/c form (high-pressure V2O5 type structure), which is common to all known pentoxides, and in the case of nickel takes the form of oxosuperoxide Ni2O3(O2). All predicted models, although dynamically stable, were found to be highly unstable in relation to reduction to nickel monoxide, the most stable nickel oxide phase, which provides one explanation for why oxygen-rich nickel oxide phases beyond NiO2 have not yet been observed.","PeriodicalId":40,"journal":{"name":"Inorganic Chemistry","volume":"25 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144701126","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Biomineralization of Hemoglobin with ZIF-90 under Mild Conditions for Oxygen Sensing Application. 温和条件下ZIF-90对血红蛋白的生物矿化及其氧传感应用。

IF 4.6 2区化学

Inorganic Chemistry Pub Date : 2025-07-25 DOI: 10.1021/acs.inorgchem.5c02715

Yueqin Zhang,Li Zhou,Yuexin Du,Hui Xu,Xiehaoran Zhang,Mengyao Wu,Jiaqiang Xu,Lien-Yang Chou,Junchen Chen

{"title":"Biomineralization of Hemoglobin with ZIF-90 under Mild Conditions for Oxygen Sensing Application.","authors":"Yueqin Zhang,Li Zhou,Yuexin Du,Hui Xu,Xiehaoran Zhang,Mengyao Wu,Jiaqiang Xu,Lien-Yang Chou,Junchen Chen","doi":"10.1021/acs.inorgchem.5c02715","DOIUrl":"https://doi.org/10.1021/acs.inorgchem.5c02715","url":null,"abstract":"Hemoglobin (Hb), owing to its superior oxygen adsorption properties, has emerged as a potential material for oxygen sensing. However, the practical applications of Hb have been significantly limited due to the propensity of bioactive molecules to become deactivated. This study employed a biomineralization strategy through Metal-Organic Frameworks (MOFs), bestowing external protection to Hb in a mild aqueous system. By leveraging the intrinsic hydrophilic nature of the protein structure, we have successfully obtained the Hb@ZIF-90 composite material through the de novo synthesis method in an aqueous phase, which was applied in the field of gaseous-phase oxygen sensing. In contrast to conventional approaches, this work not only preserved the bioactivity of the Hb molecules but also improved the crystallization of the ZIF-90 shell. In addition, although the Hb size is much larger than the cages of ZIF-90, Hb can be entrapped within interstitial spaces between the ZIF crystallites; density functional theory (DFT) calculations confirmed that the encapsulation of Hb could be controlled by leveraging a competitive regulation mechanism between surfactants and hemoglobin. Moreover, the Hb@ZIF-90 composite demonstrated stable and rapid oxygen sensing capabilities in gaseous environments due to the protection from the external biomineralized shell and the presence of ordered porous channels of ZIF-90.","PeriodicalId":40,"journal":{"name":"Inorganic Chemistry","volume":"110 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144701055","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Dual-Switchable Dielectric and Photoluminescence Response in Organic-Inorganic Manganese Halide Hybrids. 有机-无机卤化锰杂化物的双开关介电和光致发光响应。

IF 4.6 2区化学

Inorganic Chemistry Pub Date : 2025-07-25 DOI: 10.1021/acs.inorgchem.5c02860

Shan-Shan Hei,Yu Xu,Xue-Wei Pan,Lu Zhai,Zheng-Fang Tian,Xiao-Ming Ren

{"title":"Dual-Switchable Dielectric and Photoluminescence Response in Organic-Inorganic Manganese Halide Hybrids.","authors":"Shan-Shan Hei,Yu Xu,Xue-Wei Pan,Lu Zhai,Zheng-Fang Tian,Xiao-Ming Ren","doi":"10.1021/acs.inorgchem.5c02860","DOIUrl":"https://doi.org/10.1021/acs.inorgchem.5c02860","url":null,"abstract":"Multifunctional response materials exhibit potential applications in sensors and optoelectronic devices; however, successfully targeting such materials remains a significant challenge. In this study, we synthesized two zero-dimensional hybrids: (C6H16N)2MnBr1.53Cl2.47 (1, C6H16N = trimethyl propyl ammonium) and (C7H18N)2MnBr1.40Cl2.60 (2, C7H18N = trimethyl butyl ammonium). These compounds were formed by combining pseudoglobular organic ammonium cations with the highly emissive [MnX4]2- (X = Br or Cl) anion. Both compounds undergo order-disorder structural phase transitions, exhibiting thermal hysteresis: 1 at 331 K (heating)/326 K (cooling) and 2 at 383 K/373 K and 445 K/428 K (heating/cooling), respectively. These transitions result in a switchable dielectric behavior. At ambient conditions, both compounds emit the bright characteristic luminescence of the [MnX4]2- anion, with photoluminescence quantum yields (PLQY) of 88.71% for 1 and 94.59% for 2. However, they exhibit thermal quenching at elevated temperatures (∼420 K for 1 and ∼460 K for 2). Near their phase transition temperatures, both compounds also show switchable luminescent properties. Collectively, 1 and 2 represent rare examples of materials exhibiting dual-switchable dielectric and luminescence responses.","PeriodicalId":40,"journal":{"name":"Inorganic Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144701046","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Optimizing the Hydrogen-Bond Network Drives Cadmium Ce(IV) Fluoride Hydrate with Significantly Enhanced Optical Anisotropy. 优化氢键网络驱动氟化镉Ce（IV）水合物的光学各向异性显著增强。

IF 4.6 2区化学

Inorganic Chemistry Pub Date : 2025-07-25 DOI: 10.1021/acs.inorgchem.5c02791

Wen-Ye Gao,Si-Yu Ma,Bing-Wei Miao,Wenfeng Zhou,Wenlong Liu,Ru-Ling Tang

引用次数: 0

Antimony and Bismuth Complexes as Visible Light Photosensitizers in Catalytic Oxidation Reactions. 锑铋配合物在催化氧化反应中的可见光光敏剂作用。

IF 4.6 2区化学

Inorganic Chemistry Pub Date : 2025-07-24 DOI: 10.1021/acs.inorgchem.5c02152

André Korzun,Morgan J McKee,Hagen Neugebauer,Ori Green,Gregor Schnakenburg,Stefan Grimme,Nikolay Kornienko,Alessandro Bismuto

{"title":"Antimony and Bismuth Complexes as Visible Light Photosensitizers in Catalytic Oxidation Reactions.","authors":"André Korzun,Morgan J McKee,Hagen Neugebauer,Ori Green,Gregor Schnakenburg,Stefan Grimme,Nikolay Kornienko,Alessandro Bismuto","doi":"10.1021/acs.inorgchem.5c02152","DOIUrl":"https://doi.org/10.1021/acs.inorgchem.5c02152","url":null,"abstract":"The unique chemical reactivity offered by photochemistry has driven a growing interest in the design of new photocatalysts with diverse chemical properties. Incorporating heavy atoms into the core of chromophores presents an excellent opportunity to achieve this by enabling a long-lived excited state. Herein we report the design, synthesis, and characterization of new Sb- and Bi-based dipyrrins with a significantly increased stability in solution, improved luminescent properties, as well as their use in photocatalysis. Furthermore, the applicability of a new Sb-dipyrrin photosensitizer ArOMe-Sb-Br is highlighted in the oxidation of different functional groups, performing especially well in the oxidation of alkenes (TON up to 5500). In addition, the singlet oxygen efficiency was found to be ΦΔ= 0.76, a value as high as benchmark photosensitizers such as chlorophyll a and metalloporphyrins. We have performed further investigations using cyclic voltammetry under light irradiation with complementary density functional theory (DFT) calculations to elucidate the redox properties of our new set of heavy pnictogen dipyrrins. Despite the theoretical and experimental challenges, both cyclic voltammetry and DFT corroborate the formation of a cationic complex resulting from light-induced bromide dissociation. Our work paves the way for exciting new possibilities in light-driven applications using main-group elements.","PeriodicalId":40,"journal":{"name":"Inorganic Chemistry","volume":"14 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144693196","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Photocatalytic Oxidation of Tetrahydro Furfuryl Alcohol over Bimetallic Synergistic Pd-Sm-Porphyrin Metal-Organic Framework under Visible Light. 可见光下双金属协同pd - sm -卟啉金属-有机骨架上四氢糠醇的光催化氧化

IF 4.6 2区化学

Inorganic Chemistry Pub Date : 2025-07-24 DOI: 10.1021/acs.inorgchem.5c01808

Zhiquan Cai,Guangjie Hu,Xiao-Xuan Li,Yi-Si Feng

引用次数: 0

Catalytic Mechanism of the Bacterial Non-Heme Fe(II) and 2-Oxoglutarate Dependent Enzyme AlkB with Single-Stranded DNA Containing Complex Guanine Adducts. 含复合鸟嘌呤加合物单链DNA的细菌非血红素铁（II）和2-氧戊二酸依赖酶AlkB的催化机制

IF 4.6 2区化学

Inorganic Chemistry Pub Date : 2025-07-24 DOI: 10.1021/acs.inorgchem.5c02176

Sreerag Melayikandy,Anandhu Krishnan,Ann Varghese,Simahudeen Bathir Jaber Sathik Rifayee,Sodiq O Waheed,Rajeev Ramanan,Deyu Li,Christo Z Christov,Tatyana G Karabencheva-Christova

{"title":"Catalytic Mechanism of the Bacterial Non-Heme Fe(II) and 2-Oxoglutarate Dependent Enzyme AlkB with Single-Stranded DNA Containing Complex Guanine Adducts.","authors":"Sreerag Melayikandy,Anandhu Krishnan,Ann Varghese,Simahudeen Bathir Jaber Sathik Rifayee,Sodiq O Waheed,Rajeev Ramanan,Deyu Li,Christo Z Christov,Tatyana G Karabencheva-Christova","doi":"10.1021/acs.inorgchem.5c02176","DOIUrl":"https://doi.org/10.1021/acs.inorgchem.5c02176","url":null,"abstract":"The bacterial nonheme Fe(II)/2-oxoglutarate (2OG)-dependent enzyme AlkB repairs alkylation damages in single-stranded DNA (ss-DNA) nucleotide bases. This study examines for the first time the reaction mechanism of the AlkB-catalyzed repair of alkylated and exocyclic guanine adducts (GAs) in single-stranded DNA induced by everyday chemical exposures associated with cancers and other genetic disorders. The studied substrates include N2-furfurylguanine (FF-dG), N2-tetrahydrofuran-2-yl-methylguanine (HF-dG), 3-(2'-deoxy-β-D-erythro-pentofuranosyl)-5,6,7,8-tetrahydro-6-hydroxypyrimido[1,2-α]purin-10(3H)-one (α-OH-PdG), 3-(2'-deoxy-β-D-erythro-pentofuranosyl)-5,6,7,8-tetrahydro-8-hydroxypyrimido[1,2-α]purin-10(3H)-one (γ-OH-PdG), and 3-(2'-deoxy-β-D-erythro-pentofuranosyl) pyrimido[1,2-α]purin-10(3H)-one (M1dG). Using molecular dynamics-based combined quantum mechanics/molecular mechanics (QM/MM) and QM calculations, we provide unique mechanistic insights into AlkB's catalytic reaction pathways with ss-DNA containing complex alkylated/exocyclic GAs in strong correlation to experimental studies. While HF-dG, FF-dG, α-OH-PdG, and γ-OH-PdG are repaired through C-H hydroxylation, M1dG follows epoxidation. The study elucidated that the repair mechanism favors the open tautomer of γ-OH-PdG and the closed tautomer of α-OH-PdG, respectively, in agreement with experimental studies, due to the preferable SCS interactions and the catalytic domain's loop L1 and L4 dynamics. Our study also elucidated that the posthydroxylation/postepoxidation steps proceed in water rather than the enzyme. The results reveal the unique catalytic mechanism of AlkB with ss-DNA containing complex GAs, which can be used in drug design and metalloenzyme redesign.","PeriodicalId":40,"journal":{"name":"Inorganic Chemistry","volume":"5 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144701058","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Turning the Tables: Ligand-Centered Hydride Shuttling in Organometallic BIP-Al Systems. 扭转形势：有机金属BIP-Al系统中配体中心氢化物的穿梭。

IF 4.6 2区化学

Inorganic Chemistry Pub Date : 2025-07-24 DOI: 10.1021/acs.inorgchem.5c02587

Juan Manuel Delgado-Collado,Francisco José Fernández de Córdova,Pilar Palma,Juan Cámpora,Antonio Rodríguez-Delgado

引用次数: 0