journal
https://read.qxmd.com/read/38315663/phase-diagram-analysis-of-high-pressure-high-temperature-polymorphs-of-ammonia-borane
#321
JOURNAL ARTICLE
Satoshi Nakano, Hiroshi Fujihisa, Hiroshi Yamawaki, Takumi Kikegawa
Ammonia borane (NH3 BH3 ) is a promising hydrogen-storage material because of its high hydrogen density. It is employed as a hydrogen source when synthesizing superconducting polyhydrides under high pressure. Additionally, NH3 BH3 is a crystallographically interesting compound that features protonic hydrogen (Hδ+ ) and hydridic hydrogen (Hδ- ), and it forms a dihydrogen bond, which explains its stable existence as a solid. Herein, X-ray diffraction experiments were performed at high pressures (HPs) and high temperatures (HTs) of up to 30 GPa and 300 °C, respectively, to investigate the HP/HT phase diagram of NH3 BH3 ...
February 5, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38315637/ultrasensitive-eu-based-mof-luminescence-sensor-for-clenbuterol-visible-recognition
#322
JOURNAL ARTICLE
Xudong Zhang, Wenyu Ding, Chuanbao Jiao, Xiaomin Kang, Zhiliang Liu
Clenbuterol (CLB) as an illegal feed additive may cause a great security risk to food safety. However, convenient and efficient detection means for CLB in practical application remain a formidable challenge. Herein, a stable Eu-based organic framework {[H2 N(CH3 )2 ]2 [Eu2 (ttca)2 ]·H2 O}n (compound 1 ) (H4 ttca = [1,1':2',1″-terphenyl]-4,4',4″,5'-tetracarboxylic acid) has been harvested, exhibiting excellent chemical stability and thermal stability. Luminescence investigation reveals that compound 1 can sensitively and selectively detect CLB without being affected by different components from simulated serum and urine (limit detection: 22...
February 5, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38315152/photothermal-conversion-perylene-based-metal-organic-framework-with-panchromatic-absorption-bandwidth-across-the-visible-to-near-infrared
#323
JOURNAL ARTICLE
Jian-Zhen Liao, Zi-Chen Zhu, Su-Ting Liu, Hua Ke
Recently, facilely designable metal-organic frameworks have gained attention in the construction of photothermal conversion materials. Nonetheless, most of the previously reported photothermal conversion metal-organic frameworks exhibit limited light absorption capabilities. In this work, a distinctive metal-organic framework with heterogeneous periodic alternate spatial arrangements of metal-oxygen clusters and perylene-based derivative molecules was prepared by in situ synthesis. The building blocks in this inimitable structure behave as both electron donors and electron acceptors, giving rise to the significant inherent charge transfer in this crystalline material, resulting in a narrow band gap with excellent panchromatic absorption, with the ground state being the charge transfer state...
February 5, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38315105/in-situ-multicolor-imaging-of-photocatalytic-degradation-process-of-permanganate-on-single-bismuth-based-metal-organic-frameworks
#324
JOURNAL ARTICLE
Yanhao Li, Wenyou Ye, Haili Yu, Yi He
Bismuth-based metal-organic frameworks (Bi-MOFs) have emerged as important photocatalysts for pollutant degradation applications. Understanding the photocatalytic degradation mechanism is key to achieving technological advantage. Herein, we apply dark-field optical microscopy (DFM) to realize in situ multicolor imaging of the photocatalytic degradation process of permanganate (MnO4 - ) on single CAU-17 Bi-MOFs. Three reaction kinetic processes such as surface adsorption, photocatalytic reduction, and disproportionation are revealed by combining the time-lapsed DFM images with optical absorption spectra, indicating that the photocatalytic reduction of purple MnO4 - first produces beige red MnO4 2- through a one-electron pathway, and then MnO4 2- disproportionates into yellow MnO2 on CAU-17...
February 5, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38315063/construction-of-a-metal-silica-interface-for-semihydrogenation-of-alkynes
#325
JOURNAL ARTICLE
Lei Wang, Zequan Ma, Jia Xue, Zaihao Yuan, Lin-Wei Chen, Shuohao Li
Fabricating optimum surface structures represents an attractive approach for synthesizing supported catalysts with high activity and specific selectivity. New active sites could be flexibly constructed via the strong metal-support interaction under the redox condition. Herein, we demonstrated the formation of a new Rh-Si surface on a silica-modified carbon nanotube supported Rh catalyst under the high-temperature reduction condition as well as a thin amorphous silica coating layer and weak chemisorption toward the CO molecule...
February 5, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38311915/high-temperature-phase-transition-with-switchable-dielectric-behavior-and-significant-photoluminescence-changes-in-a-zero-dimensional-hybrid-sbbr-6-perovskite
#326
JOURNAL ARTICLE
Qiao-Lin Li, Meng Zhao, Rong-Jie Hao, Jing Wei, Xi-Xi Wang, Chun Yang, Man Zhao, Yu-Hui Tan, Yun-Zhi Tang
In the past decade, metal halide materials have been favored by many researchers because of their excellent physical and chemical properties under thermal, electrical, and light stimuli, such as ferroelectricity, dielectric, nonlinearity, fluorescence, and semiconductors, greatly promoting their application in optoelectronic devices. In this study, we successfully constructed an unleaded organic-inorganic hybrid perovskite crystal: [Cl-C6 H4 -(CH2 )2 NH3 ]3 SbBr6 ( 1 ), which underwent a high-temperature reversible phase transition near T p = 368 K...
February 4, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38311840/shape-selective-alkylation-of-toluene-with-ethanol-over-a-twin-intergrowth-structured-zsm-5-modulation-of-acidity-and-diffusivity-via-interface-engineering
#327
JOURNAL ARTICLE
Fangtao Huang, Zhe Hong, Lei Li, Lei Miao, Xianlong Gao, Guoqing Zhao, Zhirong Zhu
ZSM-5 zeolites with modified acidity and diffusivity are employed as catalysts for the shape-selective alkylation of toluene with ethanol to para -ethyltoluene ( p -ET). To avoid pore blocking and loss of active sites caused by traditional methods of enhancing para -selectivity using modifiers, here, we constructed twin intergrowth structured ZSM-5 (Z5-T), achieving modulation of the inherent acidity and diffusivity through interface engineering. The characterization results demonstrate that due to the intergrowth interface, the Z5-T catalyst forms more inherent Lewis acid sites and also renders more sinusoidal channels opened to the surface...
February 4, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38308632/unveiling-the-detailed-mechanism-and-origins-of-chemo-regio-and-stereoselectivity-of-rare-earth-catalyzed-alternating-copolymerization-of-polar-and-nonpolar-olefins
#328
JOURNAL ARTICLE
Ni Zhang, Zuqian Xue, Lei Shi, Gen Luo
The direct copolymerization of polar and nonpolar olefins is of great interest and significance, as it is the most atom-economical and straightforward strategy for the synthesis of functional polyolefin materials. Despite considerable efforts, the precise control of monomer-sequence and their regio- and stereochemistry is full of challenges, and the related mechanistic origins are still in their infancy to date. Herein, the mechanistic studies on the model reaction of Sc-catalyzed co-syndiospecific alternating copolymerization of anisylpropylene (AP) and styrene were performed by DFT calculations...
February 3, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38307513/phosphorescent-fac-bis-triarylisocyanide-w-0-and-mo-0-complexes
#329
JOURNAL ARTICLE
Mengwei Yue, Jiang He, Chao Zou, Xiaoyong Chang, Wei Lu
Homoleptic W(0) and Mo(0) complexes containing bis(triarylisocyanide) ligands with bulky substituents were synthesized and spectroscopically characterized. Crystallographically determined structures revealed that these complexes are hourglass-like in shape with the tridentate ligands adopting a facial coordination mode to the metal center. These complexes luminesce in fluid solutions and in the solid state. Typically in toluene at 298 K, the two W(0) complexes display the emission maximum (lifetime and quantum yield) at 591 nm (0...
February 2, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38307037/reusable-hno-sensors-derived-from-cu-cyclam-a-dft-study-on-the-mechanistic-origin-of-high-reactivity-and-favorable-conformation-changes-and-potential-improvements
#330
JOURNAL ARTICLE
Jia-Min Chu, Dariya Baizhigitova, Vy Nguyen, Yong Zhang
Nitroxyl (HNO) exhibits unique favorable properties in regulating biological and pharmacological activities. However, currently, there is only one Cu-based HNO sensor that can be recycled for reusable detection, which is a Cu cyclam derivative with a mixed thia/aza ligand. To elucidate the missing mechanistic origin of its high HNO reactivity and subsequent favorable conformation change toward a stable CuI product that is critical to be oxidized back by the physiological O2 level for HNO detection again, a density functional theory (DFT) computational study was performed...
February 2, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38306699/c%C3%A2-n-and-n%C3%A2-o-bond-cleavages-of-acetonitrile-and-nitrosyl-ligands-at-a-dimolybdenum-center-to-render-ethylidyne-and-acetamidinate-ligands
#331
JOURNAL ARTICLE
M Angeles Alvarez, M Esther García, Daniel García-Vivó, Ana M Guerra, Miguel A Ruiz
Extended reduction of [Mo2 Cp2 (μ-Cl)(μ-P t Bu2 )(NO)2 ] ( 1 ) with Na(Hg) in acetonitrile (MeCN) at room temperature resulted in an unprecedented full cleavage of the C≡N bond of a coordinated MeCN molecule to yield the vinylidene derivative Na[Mo2 Cp2 (μ-P t Bu2 )(μ-CCH2 )(NO)2 ], which upon protonation with (NH4 )PF6 gave the ethylidyne complex [Mo2 Cp2 (μ-P t Bu2 )(μ-CMe)(NO)2 ] [Mo1-Mo2 = 2.9218(2) Å] in a selective and reversible way. Controlled reduction of 1 at 273 K yielded instead, after protonation, the 30-electron acetamidinate complex [Mo2 Cp2 (μ-P t Bu2 )(μ-κ N :κ N '-HNCMeNH)(μ-NO)]PF6 [Mo1-Mo2 = 2...
February 2, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38306691/maximizing-electrostatic-interaction-in-ultramicroporous-metal-organic-frameworks-for-the-one-step-purification-of-acetylene-from-ternary-mixture
#332
JOURNAL ARTICLE
Jia-Wen Wang, Xiao-Bing Mu, Shu-Cong Fan, Yi Xiao, Guan-Jiang Fan, Dong-Chen Pan, Wenyu Yuan, Quan-Guo Zhai
Developing efficient adsorbents for acetylene purification from multicomponent mixtures is of critical significance in the chemical industry, but the trade-off between regenerability and selectivity significantly restricts practical industrial applications. Here, we report ultramicroporous metal-organic frameworks with acetylene-affinity channels to enhance electrostatic interaction between C2 H2 and frameworks for the efficient one-step purification of C2 H2 from C2 H2 /CO2 /C2 H4 mixtures, in which the electrostatic interaction led to high regenerability...
February 2, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38306605/iron-oxychalcogenides-and-their-photocurrent-responses
#333
JOURNAL ARTICLE
Sandy Al Bacha, Sébastien Saitzek, Houria Kabbour, Emma E McCabe
We report here the results of an experimental investigation of the electronic properties and photocurrent responses of the CaFeO Q and La2 O2 Fe2 O Q 2 phases and a computational study of the electronic structure of polar CaFeOSe. We find that both CaFeO Q ( Q = S and Se) have band gaps and conduction band edge positions compatible with light-driven photocatalytic water splitting, although the oxysulfide suffers from degradation due to the oxidation of Fe2+ sites. The higher O/ Q ratio in the Fe2+ coordination environment in CaFeOSe increases its stability without increasing the band gap beyond the visible range...
February 2, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38306455/what-is-a-sandwich-complex
#334
EDITORIAL
Conrad A P Goodwin
No abstract text is available yet for this article.
February 2, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38306402/artificial-surface-electron-network-prompted-energy-band-structure-tuning-boosting-solar-to-hydrogen-evolution-performance
#335
JOURNAL ARTICLE
Xiaoyan Lu, Jindou Hu, Xinhui Jiang, Anjie Liu, Zhenjiang Lu, Jing Xie, Yali Cao
The energy gap and conduction band position of catalysts play crucial roles in solar-to-hydrogen (STH) transformation technology. Unfortunately, although an increase in the conduction band position can effectively promote the photoreduction capacity of the photocatalyst, it will inevitably widen the band gap, thus reducing the light-absorption scale. It seems that there is a contradiction between the reduction of band gap and the improvement of conduction band position, which is that "You can't have your cake and eat it too...
February 2, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38305730/unraveling-the-photoluminescent-properties-of-sb-doped-cd-based-inorganic-halides-a-first-principles-study
#336
JOURNAL ARTICLE
Ruijie Hao, Chang-Kui Duan
Sb-doped Cd-based inorganic halides, with varying connections of CdCl6 octahedra ranging from 0D to 3D, exhibit a variety of photoluminescent properties. Single-band emission is observed in Sb-doped Rb4 CdCl6 (0D) and Cs2 CdCl4 (2D), while dual-band emission is seen in Sb-doped RbCdCl3 (1D) and CsCdCl3 (3D). Density-functional-based first-principles calculations were conducted. The results reveal that cation vacancies, acting as charge compensators, influence the luminescence properties of dopant centers. In CsCdCl3 , the local cation vacancy V Cd ″ for Sb3+ at the Cd2+ site ([Sb□Cl9 ]6- ) significantly modifies the photoluminescence property, accounting for the observed dual-band emission alongside the nonlocal compensation case...
February 2, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38305189/luminescence-properties-of-al-2-o-3-ti-in-the-blue-and-red-regions-a-combined-theoretical-and-experimental-study
#337
JOURNAL ARTICLE
Théo Cavignac, Maxence Vigier, Emmanuel Fritsch, Philippe Deniard, Stéphane Jobic, Camille Latouche
Using jointly experimental results and first-principles calculations, we unambiguously assign the underlying mechanisms behind two commonly observed luminescence bands for the Al2 O3 material. Indeed, we show that the red band is associated with a Ti3+ d - d transition as expected, while the blue band is the combination of the Ti3+ + O- → Ti4+ + O2- and VO • + e - → VO × de-excitation processes. Thanks to our recent developments, which take into account the vibrational contributions to the electronic transitions in solids, we were able to simulate the luminescence spectra for the different signatures...
February 2, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38301606/ultra-broad-band-excitable-cu-based-halide-c-4-h-10-n-4-cu-4-i-8-with-high-stability-for-led-applications
#338
JOURNAL ARTICLE
Chuanying Shen, Hanzhang Chen, Longyun Xu, Kui Wu, Lingqiang Meng, Shoubao Zhang, Jiyang Wang, Duanliang Wang
Currently, organic-inorganic hybrid cuprous-based halides are receiving substantial attention for their eco-friendliness, distinctive structures, and outstanding photophysical properties. Nevertheless, most of the reported cuprous-based halides demand deep ultraviolet excitation with a narrow excitation range that can meet the commercial requirement. Herein, zero-dimensional (0D) cuprous-based halide (C4 H10 N)4 Cu4 I8 single crystals (SCs) were synthesized, with an ultrabroad band excitation ranging 260-450 nm and a greenish-yellow emission band peaking at 560 nm...
February 1, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38301278/tailoring-the-photophysical-properties-of-a-homoleptic-iron-ii-tetra-n-heterocyclic-carbene-complex-by-attaching-an-imidazolium-group-to-the-c-%C3%A2-n-%C3%A2-c-pincer-ligand%C3%A2-a-comparative-study
#339
JOURNAL ARTICLE
Om Prakash, Linnea Lindh, Arvind Kumar Gupta, Yen Tran Hoang Hai, Nidhi Kaul, Pavel Chábera, Fredrik Lindgren, Tore Ericsson, Lennart Häggström, Daniel Strand, Arkady Yartsev, Reiner Lomoth, Petter Persson, Kenneth Wärnmark
We here report the synthesis of the homoleptic iron(II) N -heterocyclic carbene (NHC) complex [Fe(miHpbmi)2 ](PF6 )4 (miHpbmi = 4-((3-methyl-1 H -imidazolium-1-yl)pyridine-2,6-diyl)bis(3-methylimidazol-2-ylidene)) and its electrochemical and photophysical properties. The introduction of the π-electron-withdrawing 3-methyl-1 H -imidazol-3-ium-1-yl group into the NHC ligand framework resulted in stabilization of the metal-to-ligand charge transfer (MLCT) state and destabilization of the metal-centered (MC) states...
February 1, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38300807/evaluation-of-tungsten-catalysis-among-early-transition-metals-for-n-aryl-2-3-4-5-tetraarylpyrrole-synthesis-modular-access-to-n-doped-%C3%AF-conjugated-material-precursors
#340
JOURNAL ARTICLE
Hayato Tsurugi, Takuya Akiyama, Connor W Frye, Yuya Kakiuchi, Kazushi Mashima, Ian A Tonks
Low-valent tungsten species generated from WCl6 and N , N' -bis(trimethylsilyl)-2,5-dimethyldihydropyrazine ( Si -Me2 -DHP) promotes the catalytic formation of N -phenyl-2,3,4,5-tetraarylpyrroles 3aa-ka from diarylacetylenes 1a-k and azobenzene ( 2a ). An initial catalyst activation process is a three-electron reduction of WCl6 with Si -Me2 -DHP to afford transient 'WCl3 ' species. Catalytically active bis(imido)tungsten(VI) species via successive one-electron reduction and N═N bond cleavage of 2a was revealed by isolating W(═NPh)2 Cl2 (PMe2 Ph)2 from imidotungsten(V) trichloride and 2a in the presence of PMe2 Ph...
February 1, 2024: Inorganic Chemistry
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