New Journal of Chemistry最新文献

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A T-shaped cyanidometal-bridged tetranuclear Fe3Ru complex with oxidation-driven intramolecular charge transfer between metal centres† 一种t形氰化金属桥接的四核Fe3Ru配合物,具有氧化驱动的金属中心间分子内电荷转移
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-03-18 DOI: 10.1039/D5NJ00751H
Hao Wang, Xiao-Lin Liu, Han Liu, Xin-Tao Wu and Tian-Lu Sheng
{"title":"A T-shaped cyanidometal-bridged tetranuclear Fe3Ru complex with oxidation-driven intramolecular charge transfer between metal centres†","authors":"Hao Wang, Xiao-Lin Liu, Han Liu, Xin-Tao Wu and Tian-Lu Sheng","doi":"10.1039/D5NJ00751H","DOIUrl":"https://doi.org/10.1039/D5NJ00751H","url":null,"abstract":"<p >A T-shaped cyanidometal-bridged tetranuclear one-electron oxidized complex [{CpFe<small><sup>II</sup></small>(dppe)(CN)}<small><sub>3</sub></small>Ru<small><sup>III</sup></small>(DMPZ)<small><sub>2</sub></small>Cl][PF<small><sub>6</sub></small>]<small><sub>2</sub></small> (<strong>1<small><sup>+</sup></small></strong>, Cp = cyclopentadienyl; dppe = 1,2-bis(diphenylphosphino)ethane; DMPZ = 2,6-dimethylpyrazine), which can be considered as a composition of <em>cis</em>- and <em>trans</em>-configuration trinuclear subunits, was synthesized and well characterized. The FTIR and UV-vis-NIR spectra of products of <strong>1<small><sup>+</sup></small></strong> with different valence states were investigated by spectroelectrochemical measurements on an OTLLE cell in dichloromethane. (TD)DFT calculations were performed to fully understand the metal-to-metal charge transfer (MMCT) transition and delocalization properties of the T-shaped cyanidometal-bridged tetranuclear complexes. Spectral analyses revealed a superior electronic delocalization between the terminal Fe centers positioned in the <em>trans</em>-configuration compared to those in the <em>cis</em>-configuration. Most importantly, this work shows the presence of the oxidation-driven intramolecular charge transfer from the terminal Fe center to the central Ru center during the change from the two-electron oxidized state (<strong>1<small><sup>2+</sup></small></strong>) to the three-electron oxidized state (<strong>1<small><sup>3+</sup></small></strong>), as confirmed by electrochemistry, FTIR and UV-vis-NIR spectroscopy, and also strongly supported by theoretical calculations.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 16","pages":" 6595-6602"},"PeriodicalIF":2.7,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830606","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Fabrication of type II ZrO2/heteropoly blue heterojunction photocatalysts for efficient organic dye degradation 高效降解有机染料的II型ZrO2/杂多蓝异质结光催化剂的制备
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-03-18 DOI: 10.1039/D5NJ00039D
Jing Li, Can Chen, Shengbin Jin and Shaofan Feng
{"title":"Fabrication of type II ZrO2/heteropoly blue heterojunction photocatalysts for efficient organic dye degradation","authors":"Jing Li, Can Chen, Shengbin Jin and Shaofan Feng","doi":"10.1039/D5NJ00039D","DOIUrl":"https://doi.org/10.1039/D5NJ00039D","url":null,"abstract":"<p >ZrO<small><sub>2</sub></small>-(NH<small><sub>4</sub></small>)<small><sub>3</sub></small>PW<small><sub>12</sub></small>O<small><sub>40</sub></small> composites (ZW-<em>X</em>) were successfully prepared after annealing at temperatures ranging from 250 °C to 450 °C for the degradation of organic dyes. A thorough investigation was conducted to evaluate the impact of calcination temperature on the structural configuration, morphological properties, bandgap energetics, and charge transfer behaviors of the ZW composites. The results revealed that ZW-350 achieved an optimal structural configuration through the formation of heteropoly blue (HPB) after calcination at 350 °C for 2 h. Notably, the ZW-350 photocatalyst exhibited exceptional photocatalytic activity towards rhodamine B (RhB) and methylene blue (MB) under both ultraviolet and simulated solar irradiation. Furthermore, RhB could be efficiently photodegraded in various water bodies using ZW-350. These remarkable performances can be attributed to the formation of a type-II heterojunction between ZrO<small><sub>2</sub></small> and HPB within the ZW-350 composites. During the photodegradation process of RhB, hydroxyl radicals (˙OH), superoxide radicals (˙O<small><sub>2</sub></small><small><sup>−</sup></small>), and photo-generated holes (h<small><sup>+</sup></small>) were identified as the primary active species. This study presents a novel method for the preparation of advanced HPB-based materials for the degradation of organic pollutants.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 15","pages":" 6396-6408"},"PeriodicalIF":2.7,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143793054","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Exploring tetra-coordinate bis-guanidinate-supported boron complexes: synthesis, characterization, and photophysical properties† 探索四配位双胍支持的硼配合物:合成、表征和光物理性质
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-03-18 DOI: 10.1039/D5NJ00446B
Sagrika Rajput, Nithya M. T., Sasmita Dhala, Krishnan Venkatasubbaiah and Sharanappa Nembenna
{"title":"Exploring tetra-coordinate bis-guanidinate-supported boron complexes: synthesis, characterization, and photophysical properties†","authors":"Sagrika Rajput, Nithya M. T., Sasmita Dhala, Krishnan Venkatasubbaiah and Sharanappa Nembenna","doi":"10.1039/D5NJ00446B","DOIUrl":"https://doi.org/10.1039/D5NJ00446B","url":null,"abstract":"<p >The first examples of well-defined, tetrasubstituted bis-guanidinate-supported, air- and moisture-stable, monomeric boron complexes – namely, L<small><sup>1–3</sup></small>Bpin (<strong>1a–1c</strong>), L<small><sup>1</sup></small>BCat (<strong>2</strong>), <strong>3</strong>, <strong>4a</strong>, <strong>4b</strong> and <strong>5</strong> (where L<small><sup>1–3</sup></small> = {(ArHN)(ArN) C<img>N C<img>(NAr)(NHAr)}; DepBG = L<small><sup>1</sup></small>; Ar = 2,6-Et<small><sub>2</sub></small>-C<small><sub>6</sub></small>H<small><sub>3</sub></small>, MesBG = L<small><sup>2</sup></small>; Ar = 2,4,6-Me<small><sub>3</sub></small>-C<small><sub>6</sub></small>H<small><sub>2</sub></small>, XylBG = L<small><sup>3</sup></small>; Ar = 2,6-Me<small><sub>2</sub></small>-C<small><sub>6</sub></small>H<small><sub>3</sub></small>) – are reported. A reaction between pinacolborane (HBpin) and catecholborane (HBcat) with free bis-guanidine ligands yielded compounds <strong>1a–1c</strong> and <strong>2</strong>, respectively. Additionally, the reaction of <em>in situ</em> generated 2,2,-biphenoxyborane, naphtho[2,3-<em>d</em>]-1,3,2-dioxaborolane and naphtho[1,8-<em>de</em>]-1,3,2-dioxaborinane with 1.0 equivalent of L<small><sup>1</sup></small>H or L<small><sup>3</sup></small>H afforded compounds <strong>3</strong>, <strong>4a</strong>, <strong>4b</strong> (with L<small><sup>3</sup></small>H) and <strong>5</strong>, respectively. All the newly synthesized compounds (<strong>1a–1c</strong>, <strong>2</strong>, <strong>3</strong>, <strong>4a, 4b</strong> and <strong>5</strong>) were characterized by multinuclear NMR, and HRMS. Additionally, compounds <strong>1a–1c</strong>, <strong>2</strong>, <strong>3</strong>, <strong>4a</strong> and <strong>4b</strong> were characterized by single-crystal X-ray diffraction studies. The solid-state structures reveal that all these boron complexes are monomeric. Furthermore, photophysical studies were conducted for boron complexes <strong>1a</strong>, <strong>2</strong>, <strong>3</strong>, and <strong>4a</strong>, which showed a maximum relative fluorescence quantum yield of 9.2% in THF for <strong>4a</strong>. These photophysical properties were further evaluated using theoretical calculations.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 16","pages":" 6731-6740"},"PeriodicalIF":2.7,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830620","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Synthesis, structural characterization, in silico ADMET and molecular docking studies of a Schiff base derived from 4-hydroxybenzaldehyde and 4-aminobenzoic acid† 由4-羟基苯甲醛和4-氨基苯甲酸衍生的席夫碱的合成、结构表征、ADMET和分子对接研究
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-03-18 DOI: 10.1039/D4NJ02791D
Patryk Nowak and Artur Sikorski
{"title":"Synthesis, structural characterization, in silico ADMET and molecular docking studies of a Schiff base derived from 4-hydroxybenzaldehyde and 4-aminobenzoic acid†","authors":"Patryk Nowak and Artur Sikorski","doi":"10.1039/D4NJ02791D","DOIUrl":"https://doi.org/10.1039/D4NJ02791D","url":null,"abstract":"<p >The hemihydrate of the Schiff base derived from 4-hydroxybenzaldehyde and 4-aminobenzoic acid was synthesized and characterized using TG, ATR-FTIR, and SCXRD methods. Thermal analysis shows that the dehydration of 4-{(<em>E</em>)-[(4-hydroxyphenyl)methylidene]amino}benzoic acid hemihydrate occurs around 150 °C and yields a non-crystalline anhydrous form (m.p. = 241 °C). ATR-FTIR studies confirm the presence of an azomethine group (–HC<img>N–). SCXRD experiments revealed that the title compound crystallizes in the monoclinic <em>P</em>2<small><sub>1</sub></small>/<em>n</em> space group with two 4-(4-hydroxybenzylidene)aminobenzoic acid molecules and one water molecule in the asymmetric unit. In the crystal of the title compound, the Schiff base molecules are linked <em>via</em> O–H⋯O, O–H⋯N, and C–H⋯O hydrogen bonds, and C–H⋯π and π–π interactions. ADMET analysis indicates the synthesized compound's potential as a promising agent with high gastrointestinal absorption and the ability to cross the blood–brain barrier. Molecular docking studies predict its binding to the active sites of AChE and CA II.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 14","pages":" 5940-5949"},"PeriodicalIF":2.7,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740617","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Layer-by-layer assembly of chitosan quaternary ammonium salt/polyacrylic acid-Zn2+ as a titanium dental implant coating with prominent antibacterial and osteogenic activities† 壳聚糖季铵盐/聚丙烯酸- zn2 +作为具有显著抗菌和成骨活性的钛牙种植体涂层的层层组装
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-03-17 DOI: 10.1039/D4NJ05452K
Kechen Zhu, Liu Hong, Yan Ding and Cheng Yang
{"title":"Layer-by-layer assembly of chitosan quaternary ammonium salt/polyacrylic acid-Zn2+ as a titanium dental implant coating with prominent antibacterial and osteogenic activities†","authors":"Kechen Zhu, Liu Hong, Yan Ding and Cheng Yang","doi":"10.1039/D4NJ05452K","DOIUrl":"https://doi.org/10.1039/D4NJ05452K","url":null,"abstract":"<p >Bacterial resistance and osteogenic activity are crucial requirements for titanium (Ti) dental implants during their practical use in clinical applications. In this work, a layer consisting of positively charged chitosan quaternary ammonium salt (QCS), negatively charged polyacrylic acid (PAA) and zinc gluconate was well constructed <em>via</em> a layer-by-layer (LbL) procedure. After surface modification, the layer exhibited a significant reduction of approximately 46° in the water contact angle, demonstrating enhanced hydrophilicity. The modified surface further demonstrated excellent thermal stability at a sterilization temperature of 115 °C. Owing to the consistent release of Zn<small><sup>2+</sup></small>, the structurally optimized QCS/PAA-Zn<small><sup>2+</sup></small> coating achieved a remarkable antimicrobial activity of 97% against <em>S. aureus</em>. Moreover, its antibacterial efficacy remained highly effective, with an inhibition rate of 85%, even after cycling tests. The excellent biocompatibility and osteogenic activity of the layer were further proved by a cellular experiment. Our results may provide guidance for the upgradation of Ti-based implant coatings.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 16","pages":" 6578-6586"},"PeriodicalIF":2.7,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830604","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
A machine learning-assisted design for adjusting the solubility of ibuprofen-related binary compounds: a data driven approach† 调节布洛芬相关二元化合物溶解度的机器学习辅助设计:数据驱动方法
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-03-17 DOI: 10.1039/D5NJ00114E
Hussein A. K. Kyhoiesh, Wissam A. Hweidi, Mohanad H. Najm, Imad I. Dawood, Ashraf Y. Elnaggar, Islam H. El Azab and Mohamed H. H. Mahmoud
{"title":"A machine learning-assisted design for adjusting the solubility of ibuprofen-related binary compounds: a data driven approach†","authors":"Hussein A. K. Kyhoiesh, Wissam A. Hweidi, Mohanad H. Najm, Imad I. Dawood, Ashraf Y. Elnaggar, Islam H. El Azab and Mohamed H. H. Mahmoud","doi":"10.1039/D5NJ00114E","DOIUrl":"https://doi.org/10.1039/D5NJ00114E","url":null,"abstract":"<p > <em>Purpose</em>: monitoring the solubilities of pharmaceuticals is a critically important bottleneck for their development, since it influences their efficacy and bioavailability. To overcome this challenge, we leverage a machine learning (ML) technique to forecast and optimize solubility in compounds related to ibuprofen. <em>Method</em>: our comprehensive dataset, comprising over 1126 data points acquired from the literature, was analyzed using molecular descriptors extracted from molecular electrostatic potentials (MEPs), Lipinski's rule of five, and hydrogen bonding parameters. EdgeCov, linear, and random forest regression – three of the best ML models, achieved remarkable predictive power, with <em>R</em><small><sup>2</sup></small> values ranging from 0.86 to 0.92 and root mean square errors (RMSEs) between 0.002 and 0.34. <em>Results</em>: with compounds exceeding 80 g L<small><sup>−1</sup></small>, solubility mapping revealed a significant correlation between hydroxyl groups and enhanced solubility. Our study illustrates the potential for ML-driven design to streamline pharmaceutical development, predicting aqueous solubility prior to manufacturing and conserving valuable resources. By identifying appropriate molecular attributes, our approach enables the rational design of solubility-optimized pharmaceuticals, promoting bioavailability and therapeutic efficacy. <em>Conclusion</em>: this innovative framework accelerates the discovery of effective, solubility-optimized medications with broad implications for pharmaceutical research and development.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 15","pages":" 6421-6432"},"PeriodicalIF":2.7,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792972","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Synthesis and antitumor mechanisms of two new 8-hydroxyquinoline platinum(ii) derivatives† 两种新型8-羟基喹啉铂(ii)衍生物的合成及抗肿瘤机理
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-03-17 DOI: 10.1039/D4NJ04292A
Run-Chun Wu, Ju-Mei Zhang, Xiao-Qiong Huang, Qiu-Ming Li, Zhen Zhou, Hong Liang, Ming-Xiong Tan and Qi-Pin Qin
{"title":"Synthesis and antitumor mechanisms of two new 8-hydroxyquinoline platinum(ii) derivatives†","authors":"Run-Chun Wu, Ju-Mei Zhang, Xiao-Qiong Huang, Qiu-Ming Li, Zhen Zhou, Hong Liang, Ming-Xiong Tan and Qi-Pin Qin","doi":"10.1039/D4NJ04292A","DOIUrl":"https://doi.org/10.1039/D4NJ04292A","url":null,"abstract":"<p >Herein, we report the design and synthesis of two new 8-hydroxyquinoline platinum(<small>II</small>) derivatives, namely [Pt(QCl)Cl<small><sub>2</sub></small>]·CH<small><sub>3</sub></small>OH (<strong>YLN1</strong>, YLN = Yulin Normal University) and [Pt(QBr)Cl<small><sub>2</sub></small>]·CH<small><sub>3</sub></small>OH (<strong>YLN2</strong>), with 2-[(5-chloropyridin-2-yl)-hydrazonomethyl]-quinolin-8-ol (QCl) and 2-[(5-bromopyridin-2-yl)-hydrazonomethyl]-quinolin-8-ol (QBr) as ligands, respectively. The cytotoxicity of <strong>YLN1</strong> and <strong>YLN2</strong> against MDA-MB-231 breast cancer cells (IC<small><sub>50</sub></small> = 5.49 ± 0.14 μM and 7.09 ± 0.24 μM) was found to be generally higher than against noncancer HL-7702 cells (IC<small><sub>50</sub></small> &gt; 20.0 μM). Moreover, <strong>YLN1</strong> and <strong>YLN2</strong> induced senescence and apoptosis in MDA-MB-231 (MM231) cancer cells by significantly triggering DNA damage and downregulating hTERT mRNA expression, and the antitumor mechanisms of the Pt(<small>II</small>) complexes with different QCl and QBr ligands follows the order of <strong>YLN1</strong> &gt; <strong>YLN2</strong>. Taken together, we found the two new 8-hydroxyquinoline platinum(<small>II</small>) derivatives <strong>YLN1</strong> and <strong>YLN2</strong> as specific anticancer drugs targeting DNA damage response and hTERT suppression.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 16","pages":" 6561-6567"},"PeriodicalIF":2.7,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830602","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Aggregation-induced emission of boryl substituted phenothiazine: synthesis and applications in fluoride ion sensing† 硼基取代吩噻嗪的聚集诱导发射:合成及其在氟离子传感中的应用
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-03-15 DOI: 10.1039/D5NJ00302D
Yan Wang, Guoqiang Li, Zengheng Wen, Zhuang Luo, Qiangqiang Jia and Weidong Zhang
{"title":"Aggregation-induced emission of boryl substituted phenothiazine: synthesis and applications in fluoride ion sensing†","authors":"Yan Wang, Guoqiang Li, Zengheng Wen, Zhuang Luo, Qiangqiang Jia and Weidong Zhang","doi":"10.1039/D5NJ00302D","DOIUrl":"https://doi.org/10.1039/D5NJ00302D","url":null,"abstract":"<p >BN-containing molecules have attracted great attention in the past few decades due to their intriguing electronic and optoelectronic properties. Herein, three novel functionalized donor–acceptor (D–A) type luminophores, <em>i.e.</em>, aminoboranes containing phenothiazyl substituents <strong>4a</strong>, <strong>4b</strong>, and <strong>4c</strong> with similar structures, were obtained. These aminoborane derivatives showed good air/moisture stability and lower LUMO energy levels than those of CN-containing compound <strong>4d</strong>. The results revealed that these aminoborane derivatives exhibited interesting photophysical behavior including aggregation-induced emission (AIE). More importantly, the addition of fluoride ions to diarylboryl–phenothiazines induced a rapid change in the emission color from blue to yellow accompanied by strong intensity changes. Compared to the BN-containing compounds, the CN-containing compound <strong>4d</strong> did not show any evident AIE properties and fluoride ion sensing characteristics.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 16","pages":" 6587-6594"},"PeriodicalIF":2.7,"publicationDate":"2025-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830605","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Bis(N-heterocyclic carbene)s incorporating silicon in the ligand backbone† 双(n -杂环碳)s在配体主链中含硅†
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-03-14 DOI: 10.1039/D4NJ04276J
Braulio M. Puerta Lombardi, Katia A. McCallum, Alexander Harrison, Devon S. Louwe, Jayar Espejo, Karima Bouzidi and Roland Roesler
{"title":"Bis(N-heterocyclic carbene)s incorporating silicon in the ligand backbone†","authors":"Braulio M. Puerta Lombardi, Katia A. McCallum, Alexander Harrison, Devon S. Louwe, Jayar Espejo, Karima Bouzidi and Roland Roesler","doi":"10.1039/D4NJ04276J","DOIUrl":"https://doi.org/10.1039/D4NJ04276J","url":null,"abstract":"<p >A straightforward, modular, and high yielding synthetic protocol for accessing bis(N-heterocyclic carbene)s incorporating alkyl and aryl <em>N</em>-substituents with varied steric profiles, as well as flexible dimethylsilane and dimethylsiloxane linkers is presented. This provides a more direct entry to both new and reported chelating bis(carbene) ligands. The incorporation of dimethylsilicon fragments rather than linear alkyl chains in the linker is expected to enhance the chelating properties of the ligand by means of the Thorpe–Ingold effect.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 16","pages":" 6554-6560"},"PeriodicalIF":2.7,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/nj/d4nj04276j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830601","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Control of B-cation and X-anion atoms in inorganic Pb-free novel Mg3BX3 (B = P, N; X = Br, I) perovskites: a first-principles framework† 无机无铅新型Mg3BX3 (B = P, N)中B-阳离子和x -阴离子的控制X = Br, I)钙钛矿:第一性原理框架
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-03-14 DOI: 10.1039/D5NJ00088B
Md. Mehedi Hasan, Md. Rabbi Talukder, Jehan Y. Al-Humaidi, A. M. Quraishi, Parvez Ali, Md Rasidul Islam and Md Masud Rana
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