Article
Chemistry, Inorganic & Nuclear
Om Prakash, Linnea Lindh, Nidhi Kaul, Nils W. Rosemann, Iria Bolano Losada, Catherine Johnson, Pavel Chabera, Aleksandra Ilic, Jesper Schwarz, Arvind Kumar Gupta, Jens Uhlig, Tore Ericsson, Lennart Haggstrom, Ping Huang, Jesper Bendix, Daniel Strand, Arkady Yartsev, Reiner Lomoth, Petter Persson, Kenneth Warnmark
Summary: Fe(III) complexes with N-heterocyclic carbene (NHC) ligands, which have long-lived luminescent charge-transfer excited states, can be used as photosensitizers for charge separation reactions. Three new hexa-NHC complexes were synthesized and characterized, showing favorable properties in their excited states even with modifications in the ligand framework, demonstrating the robustness of the scorpionate motif.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Sawako Yokota, Yuna Suzuki, Sachiko Yanagisawa, Takashi Ogura, Shunsuke Nozawa, Masahiko Hada, Hiroshi Fujii
Summary: This study successfully prepared and characterized bis-hypochlorite adducts of iron(III) porphyrin complexes, demonstrating that as the electron-donor effect of the ligands becomes stronger, the hypochlorite complex becomes more unstable and reactive. Additionally, spectroscopic studies and density functional theory calculations provided insights into the weakening Fe-OCl and O-Cl bonds in the iron-bound hypochlorite complex, leading to increased reactivity.
Article
Chemistry, Physical
Satoshi Takebayashi, Mark A. Iron, Moran Feller, Orestes Rivada-Wheelaghan, Gregory Leitus, Yael Diskin-Posner, Linda J. W. Shimon, Liat Avram, Raanan Carmieli, Sharon G. Wolf, Ilit Cohen-Ofri, Rajashekharayya A. Sanguramath, Roy Shenhar, Moris Eisen, David Milstein
Summary: This study reports the discovery and mechanistic studies of three-coordinate iron(II) catalysts for ring-opening metathesis polymerization of olefins. The iron catalysts exhibited high reactivity and polymerization ability, suggesting their potential as economical and biocompatible catalysts for olefin metathesis reactions.
Article
Chemistry, Inorganic & Nuclear
Rakesh Mazumdar, Shankhadeep Saha, Bapan Samanta, Biplab Mondal
Summary: The research shows that the nitrosyl complexes of Mn(II)-porphyrinate can release HNO or act as nitroxyl (NO-) donors under specific conditions. This release is achieved by the polarization of the NO group induced by HBF4 and the interaction of the metal ion with BF4-.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Maria Alvarez, Maria Besora, Francisco Molina, Feliu Maseras, Tomas R. Belderrain, Pedro J. Perez
Summary: This study reports the detection and isolation of a monosubstituted copper carbene where the ligand has undergone a modification from the initial diazo reagent. Additionally, carbon monoxide was trapped as a product of the decarbonylation process. Experimental data, DFT calculations, and microkinetic models support the proposal that a copper carbene complex undergoes CO loss en route to the formation of another complex.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Physical
Sergio Gonell, Eric A. Assaf, Julio Lloret-Fillol, Alexander J. M. Miller
Summary: This study explores a strategy of independently tuning ligands in the primary coordination sphere to discover a highly active iron catalyst for CO2 reduction. By changing the donor ability of the bidentate ligand, catalysis can be accelerated at the same overpotential and the nature of the turnover-limiting step of the reaction can be altered.
Article
Chemistry, Inorganic & Nuclear
Abraham B. Alemayehu, Laura J. McCormick-McPherson, Jeanet Conradie, Abhik Ghosh
Summary: The study found that rhenium corrole dimers synthesized under specific conditions have a metal-metal quadruple bond structure, similar to osmium corrole dimers but with radically different electrochemical properties.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Physical
Sergio Gonell, Julio Lloret-Fillol, Alexander J. M. Miller
Summary: The newly synthesized nonheme iron electrocatalyst shows high selectivity and efficiency in converting CO2 to CO at low overpotentials, promising a wide range of applications. By studying the nature of catalytic intermediates and optimizing continuous CO2 flow conditions, the performance of the catalyst can be improved and the product yield increased.
Article
Chemistry, Physical
Yuhang Ai, Qiming Sun, Hong Jiang
Summary: Density matrix embedding theory provides a framework to combine low-level and high-level quantum chemistry methods for treating strongly correlated systems. In this work, a quantum embedding approach combining DMET with CASSI-SO is proposed and applied to the theoretical description of single-ion magnets. By developing a novel regularized DIIS technique, reliable zero-field splitting parameters can be obtained with reduced computational cost.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Inorganic & Nuclear
Irene R. A. M. Ogutu, Richard C. Holz, Brian Bennett
Summary: Research has shown that an eight amino acid peptide based on the metal binding motif of Co-type nitrile hydratase from Pseudonocardia thermophilia can coordinate Fe(II) under anaerobic conditions. Exposure to air results in the formation of a low-spin Fe(III)-peptide complex, similar to the nitrile hydratase from Rhodococcus equi TG328-2.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Ruth Weller, Igor Mueller, Carine Duhayon, Sylviane Sabo-Etienne, Sebastien Bontemps, C. Gunnar Werncke
Summary: This study reports the synthesis and characterization of neutral quasilinear 3d-metal(i) complexes of chromium to cobalt. The different forms of these metal(i) complexes in solid state and solution, the results of using sodium or lithium metal for the reduction of iron(i) precursor, and the impact of cation on the metal(i) complexes are discussed.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Physical
Tim P. Schlachta, Greta G. Zambo, Michael J. Sauer, Isabelle Rueter, Carla A. Hoefer, Serhiy Demeshko, Franc Meyer, Fritz E. Kuehn
Summary: A comparative study was conducted to investigate the influence of electronic variations on the catalytic performance of three iron(II) NHC epoxidation catalysts. Different ligands were used to prepare the complexes, which were characterized using various methods. The results showed that a lower electron density at the iron atom led to a decline in epoxidation activity, while a more electron rich iron center did not necessarily result in higher activity due to reduced catalyst stability. Addition of Lewis acids significantly improved both activity and stability of the catalysts.
JOURNAL OF CATALYSIS
(2023)
Review
Chemistry, Physical
Tangfei Zheng, Jinxia Jiang, Jian Wang, Sufang Hu, Wei Ding, Zidong Wei
Summary: The study investigates the impact of confinement effects on catalysts, revealing that the confinement environment significantly alters the structure, properties, and catalytic activity of catalysts, especially at the molecular and atomic levels. Therefore, when designing catalytic materials, the regulatory effect of confinement should be taken into consideration.
ACTA PHYSICO-CHIMICA SINICA
(2021)
Review
Chemistry, Inorganic & Nuclear
Christina Wegeberg, Oliver S. Wenger
Summary: This article highlights recently discovered chromium(0) and manganese(i) complexes emitting from metal-to-ligand charge transfer excited states, with MLCT lifetimes in the nanosecond regime. Although luminescence quantum yields are comparatively low, the photophysical properties provide insight for the further development of new luminescent first-row transition metal complexes.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Multidisciplinary
Sylvain Sudan, Farzaneh Fadaei-Tirani, Kay Severin
Summary: A penta-stranded helicate was synthesized by combining [Pd(CH3CN)(4)](BF4)(2) with La(NO3)(3) and a polydentate ligand. The helicate exhibited low symmetry in both solution and solid state. By adjusting the metal-to-ligand ratio, a dynamic interconversion between the penta-stranded helicate and a symmetrical, four-stranded helicate was achieved.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Qiuhua Liu, Wanjie Ren, Siwei Zhang, Yang Huang, Dilong Chen, Wennan Zeng, Zaichun Zhou, Lin He, Wenping Guo, Jianfeng Li
Summary: The geometric architecture and electronic configurations of heme proteins play crucial roles in their activity. This study focused on designing and synthesizing a series of copper(II) porphyrin complexes with shortened straps to modulate molecular conformations, resulting in improved catalytic performance. By manipulating ligand geometry, a novel strategy to enhance catalytic activity of heme analogs was proposed and validated.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Inorganic & Nuclear
Haimang Wang, Yulong Liu, Chaorui Su, Charles E. Schulz, Yingying Fan, Yongzhong Bian, Jianfeng Li
Summary: This study reports two iron porphyrin complexes with N-heterocyclic carbene ligands, demonstrating the strong pi-acceptor and sigma-donor abilities of NHC ligands.
INORGANIC CHEMISTRY
(2022)
Article
Nanoscience & Nanotechnology
Liang Cai, Juntao Huo, Peng Zou, Guowei Li, Jian Liu, Wei Xu, Meng Gao, Shuzhi Zhang, Jun-Qiang Wang
Summary: Research has shown that alternating magnetic fields (AMFs) are a promising strategy to promote electrochemical catalytic reactions. In this study, the influence of AMFs on the hydrogen evolution reaction (HER) was systematically investigated using a Fe-Co-Ni-P-B magnetic catalyst. The results showed that AMFs significantly increased the catalytic efficiency of HER, attributed to the enhancement of charge-transfer efficiency through Lorentz interaction.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Engineering, Biomedical
Feng-Qin Luo, Wei Xu, Jing-Yang Zhang, Rong Liu, Yong-Cong Huang, Chunsheng Xiao, Jin-Zhi Du
Summary: In this study, a nanocomposite hydrogel was developed to improve local drug delivery by enhancing drug retention and penetration in tumor tissues. The results showed that the nanocomposite hydrogel effectively inhibited tumor growth and metastasis.
ACTA BIOMATERIALIA
(2022)
Article
Chemistry, Multidisciplinary
Hongli Cao, Wei Ding, Jianfeng Li
Summary: The lack of direct proof for trans-dinitrosyl hemes in heme proteins has hindered understanding of the reaction mechanisms with nitric oxide. This study reports the isolation of a dinitrosyl metalloporphyrin complex, providing insight into the reaction processes and demonstrating different responses of porphyrinates to nitric oxide.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Inorganic & Nuclear
Wanjie Ren, Charles E. Schulz, Mark H. Shroyer, Wei Xu, Shibo Xi, Pengfei An, Wenping Guo, Jianfeng Li
Summary: In this study, the electronic configurations of (nitrosyl)iron corroles with different para-substituted phenyl groups were investigated. Various techniques were employed to characterize these complexes and determine their electronic and magnetic properties. The study also established correlations between the electronic characteristics of the para-substituents and the electrochemical behavior and magnetic parameters of the complexes.
INORGANIC CHEMISTRY
(2022)
Article
Nanoscience & Nanotechnology
Peng Zou, Bowen Zang, Lijian Song, Wei Xu, Juntao Huo, Jun-Qiang Wang
Summary: An effective method based on hybridization strategy and de-alloying nanoporosity is reported for increasing the electrocatalytic activity of metallic glasses (MGs) in hydrogen evolution reaction (HER). The study found that the electrochemical performance reaches the maximum at 3% Au addition, displaying superior catalytic performance.
ACS APPLIED NANO MATERIALS
(2022)
Article
Physics, Condensed Matter
Wei Xu, Yujun Zhang, Kenji Ishii, Hiroki Wadati, Yingcai Zhu, Zhiying Guo, Qianshun Diao, Zhen Hong, Haijiao Han, Lidong Zhao
Summary: Energy sustainability is essential for human social activities. Cu2ZnSnSe4 (CZTSe) is a promising candidate for thin-film solar cell absorption material with medium-level thermoelectric performance, attracting interest in utilizing solar energy. The defect chemistry and atomic ordering also spark interest in understanding its crystallographic structure and defects. High energy resolution X-ray absorption spectroscopy is used to investigate the electronic and geometric structural complexity in pristine and cobalt-doped Cu2ZnSnSe4. It is found that Cu atomic sites mix with Zn atoms, forming Cu-Zn anti-defects that can manipulate the band structure to improve the optical and thermoelectric properties of CZTSe compounds.
Article
Chemistry, Applied
Xu Liang, Jianping Zhao, Wanjie Ren, Yiwen Yuan, Wenping Guo, Jianfeng Li
Summary: In this study, the geometric and electronic structures of several five-coordinate manganese(II) porphyrin complexes using 2-methylimidazole or 2-methylimidazolate as axial ligand were explored. The results showed significant differences between the two species, with 2-methylimidazolate exhibiting a stronger ligand nature. Low temperature EPR measurements confirmed the high-spin nature of the complexes, and a positive correlation between lambda (E/D) and the numbers of hyperfine splittings was observed.
Article
Materials Science, Ceramics
Yunshuang Ma, Hangboce Yin, Fan Chen, Meng Gao, Lijian Song, Yan Zhang, Wei Xu, Li-Min Wang, Juntao Huo, Shuzhi Zhang, Jun-Qiang Wang
Summary: The new amorphous alloy (Tm67Cu33)80Al20 has a fully amorphous structure with a deep binary eutectic composition of Tm67Cu33. Due to the absence of magnetic moment in Cu and Al elements, the only magnetic interaction in the (Tm67Cu33)80Al20 amorphous alloy is Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction, resulting in a low Curie temperature (4.4 +/- 0.3 K). The (Tm67Cu33)80Al20 amorphous alloy exhibits a peak magnetic entropy change and refrigeration capacity of 13.4 +/- 0.7 J kg- 1 K - 1 and 174.2 +/- 10.5 J kg- 1, respectively, under a magnetic field change of 5 T. Compared to reported RE-based alloys with similar Curie temperature, the (Tm67Cu33)80Al20 amorphous alloy shows a relatively high magnetocaloric response. These findings suggest that the (Tm67Cu33)80Al20 amorphous alloy could be a promising candidate for magnetic refrigeration applications in the liquid helium temperature range.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
Article
Instruments & Instrumentation
Ziyu Bao, Yujun Zhang, Junguo Jiang, Yichao Ma, Yu Liu, Shenghao Li, Hongyu Zhang, Monan Liu, Yangfan Zhou, Zhenjie Li, Yaoguang Liu, Hangxu Li, Zhibang Shen, Can Yu, Zhan Shi, Zina Ou, Aiyu Zhou, Qiuju Li, Peng Liu, Wei Xu, Michael Y. Hu, Jiyong Zhao, Ercan Esen Alp
Summary: The development of an 8-channel APD array detector system with high time resolution and low noise level is presented in this study. The system exhibited a time resolution of better than 500 ps and a low noise level, allowing for the lowest detection energy threshold of 4 keV. Its performance was tested in nuclear forward scattering and nuclear resonant inelastic x-ray scattering experiments, showing great potential for data analysis in the time domain.
REVIEW OF SCIENTIFIC INSTRUMENTS
(2023)
Article
Chemistry, Multidisciplinary
Qianshun Diao, Yujun Zhang, Shuoxue Jin, Shangming He, Jianrong Zeng, Fenggang Bian, Junliang Yang, Zhen Hong, Hongkai Lian, Xiaolong Gan, Han Zhang, Ming Li, Peng Liu, Dongliang Chen, Zhiying Guo, Wei Xu
Summary: X-ray Raman scattering (XRS) spectroscopy is an emerging technique used to measure local electronic structure and chemical bonding. This study reports the batch production and performance evaluation of a large XRS spectrometer with high solid angles and good energy resolution. The results suggest that radially dicing thin silicon wafers is more effective than conventional strip cuts.
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2023)
Article
Physics, Condensed Matter
Ruben Albertini, Salvatore Macis, Andrei A. Ivanov, Alexey P. Menushenkov, Alessandro Puri, Virginia Monteseguro, Boby Joseph, Wei Xu, Augusto Marcelli, Paula Giraldo-Gallo, Ian Randal Fisher, Antonio Bianconi, Gaetano Campi
Summary: In this study, the spatial micro-fluctuations in BaPO units in Ba(Pb-1 Bi-x(x))O-3 crystals were measured using scanning dispersive micro-X-ray absorption near edge structure technique. The results showed substantial differences between the microstrain epsilon and the chemical inhomogeneity x, and different relationships epsilon(x) were observed in samples with different doping levels.
Article
Chemistry, Multidisciplinary
Zhiyong Zhang, Yang Wang, Ben Niu, Bo Liu, Jianfeng Li, Wubiao Duan
Summary: A new type of two-dimensional indium-based porphyrin MOF nanosheets with good chemical stability has been successfully synthesized using a surfactant-assisted method. The photocatalytic activity of these nanosheets is significantly enhanced compared to the three-dimensional bulk MOF, and it maintains high activity even after long-term testing, indicating its potential for practical commercial use.
