Article
Chemistry, Inorganic & Nuclear
Alexander Poecheim, Lena Albers, Thomas Mueller, Judith Baumgartner, Christoph Marschner
Summary: The reaction of a 3,4-diphenylsilole with neopentasilanyl groups attached to the 2- and 5-positions did not result in the expected silanide formation, but instead yielded a silole allylic anion. This allylic anion undergoes further reaction by adding to a neighboring phenyl group, which then transfers a proton to the 2-position of the silole ring.
DALTON TRANSACTIONS
(2021)
Article
Materials Science, Multidisciplinary
Masaaki Geshi, Hiroki Funashima, Gayan Prasad Hettiarachchi
Summary: Among the pnictogens, there are structural transitions in the high-pressure phases of P, while As and Sb do not exhibit such transitions. The stability of the bcc structure in As and Sb is attributed to the occupied d orbitals, while the lack of such orbitals in P results in the instability of its bcc structure.
Article
Spectroscopy
Hibiki Komatsu, Toshio Nakanishi, Yasuo Seto, Yoshinori Nishiwaki
Summary: Discrimination of single fibers is crucial in forensic investigation. This study proposes a forensic method for discriminating white-based polyester single fibers using X-ray fluorescence analysis, imaging, and X-ray absorption fine structure analysis. The results show that the uneven distribution of metal elements can serve as good markers for identification, and the chemical states are useful indices for fiber discrimination.
SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY
(2023)
Article
Nanoscience & Nanotechnology
B. D. Klee, B. Paulus, J. Link Vasco, S. Hosokawa, J. R. Stellhorn, S. Hayakawa, S. Dehnen, W-C Pilgrim
Summary: The microscopic structure of a new infrared-driven amorphous white-light-generating material was investigated using X-ray diffraction, EXAFS and Reverse Monte Carlo simulation. The results suggest that structural disorder is a prerequisite for the observed nonlinear optical effect. The distorted molecular cores act as crystallization inhibitors. Sulfur atoms form a uniform vibrational network, which may enhance the material's ability to absorb infrared radiation.
SCRIPTA MATERIALIA
(2022)
Article
Chemistry, Applied
Jiali Sun, Chengjun Liu, Maofa Jiang
Summary: The correlation between phosphorus fixation capacity and slag structure was explored using spectroscopy, Raman spectroscopy, and ferromanganese dephosphorization experiments. The predominant species of P5+ in the CaO-SiO2-Al2O3-MnO-Ce2O3-P2O5 quenched slag were identified, and the phosphorus fixation capacity was found to increase with a specific unit transformation. Additionally, the phosphorus enrichment phases in the slow cooling slag were characterized.
JOURNAL OF RARE EARTHS
(2023)
Article
Medicine, Research & Experimental
Hironori Suzuki, Masahito Matsushima, Masataka Ito, Shuji Noguchi
Summary: Sulfur K-edge X-ray absorption near-edge spectroscopy (XANES) can be used to distinguish crystal polymorphs of active pharmaceutical ingredients (APIs) containing sulfur atoms. The shape of XANES spectra is influenced by the C-S-C bond angle of molecules and intermolecular hydrogen bonds and S-S interaction, while the peak energy values can vary with hydrogen bonds and S-S interaction. Linear combination fitting of XANES spectra can quantify the ratio of crystal forms in mixed powders, demonstrating the utility of XANES measurements for evaluating crystal polymorphism in pharmaceutical formulations containing sulfur atoms.
MOLECULAR PHARMACEUTICS
(2022)
Article
Chemistry, Multidisciplinary
Zhu-Lin Xie, Xiaolin Liu, Andrew J. S. Valentine, Vincent M. Lynch, David M. Tiede, Xiaosong Li, Karen L. Mulfort
Summary: High-energy X-ray scattering and pair distribution function analysis is a powerful method for detecting the structure of molecular complexes in solution, revealing pairwise distances in local coordination spheres of metal centers and metal...metal distances. Comparing metal...metal distances detected in solution with crystal structure and molecular models can confirm unique distortions to metal bridging ligands in the solid state. This work demonstrates the potential for observing sub-angstrom conformational differences by comparing solution and solid-state structures directly.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Engineering, Multidisciplinary
Xiaoping Wang, Weiwei Dong, Peng Zhang, Haoqi Tang, Lanting Zhang, Tieying Yang, Peng Liu, Hong Wang, X. -d. Xiang
Summary: This work demonstrates high-throughput powder X-ray diffraction using a white X-ray beam and an energy-dispersive detector array. The results show consistent diffraction patterns with angle-resolved XRD, which is necessary for analyzing crystal structures of unknown samples.
Article
Chemistry, Inorganic & Nuclear
Vishwesh Mishra, Nitish Kumar Sinha, Natesan Thirupathi
Summary: By reacting with Hg(OC(O)CF3)(2), separate reactions of cycloplatinated 2-tolyl- and 2-anisylguanidine complexes yielded a one-dimensional coordination polymer and a discrete tetrametallic complex with different structures and properties. The formation mechanisms and structural characteristics of these products were explained in detail, with important characterization information provided by multinuclear NMR spectroscopy and single-crystal X-ray diffraction studies.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Fatima C. Teixeira, Ines F. Antunes, M. Joao M. Curto, M. Teresa Duarte, Vania Andre, Antonio P. S. Teixeira
Summary: This study presented the synthesis and characterization of indazolephosphonic acid derivatives, as well as the evaluation of their structural features. The work contributes to a better understanding of the structural characteristics and potential applications of phosphonic acid derivatives.
Article
Chemistry, Multidisciplinary
Dmitry Lapkin, Anatoly Shabalin, Janne-Mieke Meijer, Ruslan Kurta, Michael Sprung, Andrei Petukhov, Ivan A. Vartanyants
Summary: This work proposes an application of AXCCA to single-crystalline samples, providing insight into the structure of a single specimen, which is particularly useful for studying defect-rich samples.
Article
Optics
Shuhang Tian, Zhenguo Shi, Yongsheng Sun, Pengyu Zhang, Sheng Wu, Dongdan Chen, Puxian Xiong, Qi Qian, Zhongmin Yang
Summary: Rare-earth ions doped phosphate glasses show promising potential in LED lighting and X-ray detection due to their excellent photoluminescence performances and thermal stabilities.
LASER & PHOTONICS REVIEWS
(2022)
Article
Astronomy & Astrophysics
Nicholas. P. P. Ballering, Colette. I. I. Levens, Kate Y. L. Su, L. Ilsedore Cleeves
Summary: This study models the G29-38 disk using radiative transfer calculations for the first time and presents a set of models that explain the dust properties and structure of the disk. The results suggest that the inner edge of the disk is farther from the star than previously thought and provide explanations for the narrow radial width and vertical half-opening angle of the disk.
ASTROPHYSICAL JOURNAL
(2022)
Article
Chemistry, Physical
Mengdan Qiao, Meiling Wang, Xianze Meng, Hanyu Zhu, Yu Zhang, Zhiyong Ji, Yingying Zhao, Jie Liu, Shizhao Wang, Xiaofu Guo, Jing Wang, Jingtao Bi, Panpan Zhang, Devis Di Tommaso, Fei Li, Junsheng Yuan
Summary: Lithium resources are abundant in Chinese salt lakes, but the high Mg/Li ratio in these natural sources has made it difficult to separate and purify lithium. This study used synchrotron X-ray scattering, Raman spectroscopy, and molecular dynamics simulation methods to investigate the microstructure of aqueous LiCl solutions with different concentrations. The results revealed the disruption of the tetrahedral hydrogen bond structure in the aqueous solution due to the addition of LiCl and the enhanced interactions between chlorine and oxygen atoms.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Review
Chemistry, Inorganic & Nuclear
Maria del Mar Conejo, Antonio Pastor, Francisco Montilla, Agustin Galindo
Summary: This review focuses on the chemistry of transition metal compounds with phosphorus atom ligands, discussing the classification of phosphide complexes, coordination modes, structural analysis, and the use of P-31 NMR spectroscopy for characterization. The field continues to be of interest with new examples of complexes appearing in literature.
COORDINATION CHEMISTRY REVIEWS
(2021)
Article
Chemistry, Organic
Lei Ji, Andreas Lorbach, Robert M. Edkins, Todd B. Marder
JOURNAL OF ORGANIC CHEMISTRY
(2015)
Article
Chemistry, Multidisciplinary
Lei Ji, Robert M. Edkins, Andreas Lorbach, Ivo Krummenacher, Charlotte Brueckner, Antonius Eichhorn, Holger Braunschweig, Bernd Engels, Paul J. Low, Todd B. Marder
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2015)
Article
Chemistry, Multidisciplinary
Joern Nitsch, Frederick Lacemon, Andreas Lorbach, Antonius Eichhorn, Federico Cisnetti, Andreas Steffen
CHEMICAL COMMUNICATIONS
(2016)
Article
Chemistry, Multidisciplinary
Carolin Sieck, Meng Guan Tay, Marie-Helene Thibault, Robert M. Edkins, Karine Costuas, Jean-Francois Halet, Andrei S. Batsanov, Martin Haehnel, Katharina Edkins, Andreas Lorbach, Andreas Steffen, Todd B. Marder
CHEMISTRY-A EUROPEAN JOURNAL
(2016)
Article
Chemistry, Inorganic & Nuclear
Benjamin Hupp, Carl Schiller, Carsten Lenczyk, Marco Stanoppi, Katharina Edkins, Andreas Lorbach, Andreas Steffen
INORGANIC CHEMISTRY
(2017)
Article
Chemistry, Inorganic & Nuclear
Carolin Sieck, Daniel Sieh, Meike Sapotta, Martin Haehnel, Katharina Edkins, Andreas Lorbach, Andreas Steffen, Todd B. Marder
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2017)
Article
Chemistry, Organic
Soren K. Mellerup, Lisa Haefele, Andreas Lorbach, Xiang Wang, Suning Wang
Article
Chemistry, Inorganic & Nuclear
Marco Stanoppi, Andreas Lorbach
DALTON TRANSACTIONS
(2018)
Article
Chemistry, Organic
Lei Ji, Ivo Krummenacher, Alexandra Friedrich, Andreas Lorbach, Martin Haehnel, Katharina Edkins, Holger Braunschweig, Todd B. Marder
JOURNAL OF ORGANIC CHEMISTRY
(2018)
Article
Chemistry, Inorganic & Nuclear
Andreas Lorbach, Alexander Huebner, Matthias Wagner
DALTON TRANSACTIONS
(2012)
Article
Chemistry, Multidisciplinary
Xiaofeng Liu, Yanming Sun, Ben B. Y. Hsu, Andreas Lorbach, Li Qi, Alan J. Heeger, Guillermo C. Bazan
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2014)
Article
Chemistry, Physical
Andreas Lorbach, Emily Maverick, Abel Carreras, Pere Alemany, Guang Wu, Miguel A. Garcia-Garibay, Guillermo C. Bazan
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2014)
Article
Chemistry, Multidisciplinary
Hadi Dolati, Lisa C. Haufe, Lars Denker, Andreas Lorbach, Robin Grotjahn, Gerald Hoerner, Rene Frank
CHEMISTRY-A EUROPEAN JOURNAL
(2020)
Article
Chemistry, Multidisciplinary
Abel Carreras, Andreas Lorbach, Guillermo C. Bazan, Pere Alemany, Guang Wu, Miguel A. Garcia-Garibay, Emily F. Maverick
Summary: A single-crystal X-ray study and energy calculations indicate that the C-60 moiety undergoes thermal motion with respect to the imidazolium heterocycle. Analysis of displacement parameters, frequency calculations, and refinement of disorder models at four temperatures reveal that the rotator is in motion at all temperatures, with a low rotation barrier and multiple energy minima.
HELVETICA CHIMICA ACTA
(2023)
Article
Chemistry, Inorganic & Nuclear
Angela Lis, Viorica Gladchi, Gheorghe Duca, Sergey Travin
Summary: This work presents studies on the photochemical transformations of TU and Cys with the addition of Cu(II) or Fe(III) ions. The results show that the oxidation rate of the thiols increases significantly when Cu(II) or Fe(III) ions are added to the system. It has also been found that TU and Cys can form stable complex compounds with the studied metal ions. The oxidation rates of the thiols are found to depend on the radiation intensity and emission spectrum of the irradiation sources.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Cristiane F. A. Teixeira, Estefane I. Teixeira, J. P. C. Nascimento, M. Amilcar Junior, L. M. C. Pinto, Anderson R. L. Caires, G. B. Alcantara, Ana C. Micheletti, Victor M. Deflon, Davi F. Back, Heveline Silva, Lucas Pizzuti, Gleison Antonio Casagrande
Summary: Novel binuclear heteroleptic copper(I) complexes based on mixed DPPE/thiocarbamoyl-pyrazoline ligands were synthesized and structurally characterized. These complexes exhibited similar structural behavior around the Copper(I) atoms and showed promising antimicrobial and anticancer activities.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Chen Chen, Li Liu, Xin-Xin Zhong, Fa-Bao Li, Hai-Mei Qin
Summary: Thermally activated delayed fluorescent (TADF) Cu(I) halide complexes with short lifetimes and intense emissions were synthesized and characterized. These complexes exhibit intense green to yellow-green delayed fluorescence and are suitable for OLED devices.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Tian-Yu Zhang, Xue-Qian Wu, Heng-Yu Ruan, Yi Yuan, Le Wang, Ya-Pan Wu, Qing-Wen Han, Ruan Chi, Dong-Sheng Li
Summary: In this study, a novel Ni(II)-based metal-organic framework with good electrocatalytic oxidation performance was successfully synthesized, showing potential for direct alcohol fuel cells.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Susanta Das Baishnab, R. N. Dutta Purkayastha, Waldemar Maniukiewicz, Rosa M. Gomila, Antonio Frontera
Summary: The synthesis, structure, and DNA binding ability of three decavanadate complexes containing cationic organic moieties were reported. The complexes were characterized by various techniques and their solid-state structures were analyzed. The complexes showed interesting assembly patterns and exhibited moderately strong intercalative binding with CTDNA. Additionally, their micellization behavior in the presence of the surfactant CTAB was studied.
INORGANICA CHIMICA ACTA
(2024)
Review
Chemistry, Inorganic & Nuclear
Jubaraj B. Baruah
Summary: Isomorphous series are generated by replacing atoms or molecules to form materials with similar compositions. They allow modulation of structure and properties, and generate equivalent compositions with novel material properties. The study of stereo-electronic aspects of different equivalent compositions can improve the utility of the original composition.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Kamelah S. Al-Rashdi, Bandar A. Babgi, Ehab M. M. Ali, Bambar Davaasuren, Abdul-Hamid M. Emwas, Mariusz Jaremko, Mark G. Humphrey, Mostafa A. Hussien
Summary: Tridentate ligands were used to synthesize a set of palladium complexes, which were characterized and found to have DNA and BSA binding abilities. The complexes also showed differences in anticancer activities.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Diane Isaacs, Chandler Cox, Mark A. Bezpalko, W. Scott Kassel, William G. Dougherty
Summary: The structure and electrochemical properties of zinc(II) complexes with a face-capping ligand have been investigated, revealing the effect of the ligand on bound semiquinonate (SQ) radicals. The substitution pattern of the SQ ring plays a crucial role in determining the fate of the bound SQ radicals. Additionally, the protective pocket formed by the ligand's phenyl substituents is unable to prevent decomposition of SQ radicals with minimal steric bulk, suggesting that substitution of the SQ ring is the main contributor to their stabilization.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Xingliang Chen, Zhiqiang Jiang
Summary: Here, a series of zinc tetrahedral tetrazolate frameworks (Zn-TTFs) are presented, and it is demonstrated that rotation of carboxyl group can generate structural diversity. Compound 3 exhibits a unique zeolite-like structure, while compound 4 shows both super acid and alkali resistance.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Ankita Puri, Allison Mcaninch, Sheng Shu, Khashayar Rajabimoghadam, Maxime A. Siegler, Marcel Swart, Isaac Garcia-Bosch
Summary: In this article, the synthesis and characterization of copper, nickel, and palladium complexes bound by bidentate ligands derived from ortho-phenylenediamine are described. The complexes contain tunable H-bond donors and their crystal structures reveal intramolecular H-bonding interactions between the ligand scaffolds. Variations in the coordination sphere led to the isolation of the complexes in square-planar or twisted pseudo-tetrahedral geometries. Structural analysis showed that intramolecular H-bonding interactions can be altered by disrupting the bonds between countercations, solvent of crystallization, and ligand scaffold, resulting in changes in the geometry of the complexes. DFT calculations confirmed that Cu complexes prefer twisted geometries while Ni and Pd complexes favor square-planar geometries.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Laiane dos Santos Oliveira, Pedro Henrique de Souza Guarda, Leticia Bazilio Rosa, Gustavo Clauss Rodrigues, Daniele Daiane Affonso, Joao Ernesto de Carvalho, Igor Andrade Santos, Mark Harris, Douglas Hideki Nakahata, Jose Ricardo Sabino, Danilo Ciccone Miguel, Ana Lucia Tasca Gois Ruiz, Ana Carolina Gomes Jardim, Camilla Abbehausen
Summary: Chalcones are chemical precursors of flavonoids that have various biological properties. In this study, novel copper(II)-2'-hydroxy-4-benzyloxychalcone complexes were synthesized and evaluated for their antileishmanial, antiproliferative, and antiviral activities. The results demonstrated that these complexes showed potential effects against tumor cells, leishmania parasites, and SARS-CoV-2 virus. The study also highlighted the influence of ligand structure on biological activity.
INORGANICA CHIMICA ACTA
(2024)
Review
Chemistry, Inorganic & Nuclear
Archana Thakur, Harpreet Kaur, Vishal Tyagi
Summary: This review article discusses the findings of research on the 13C NMR spectra of di- and tri-butyltin carboxylates, highlighting the importance of 13C NMR chemical shifts in determining the chemical surroundings of carbon nuclei and their role in structure elucidation.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Qiang Zhao, Qi-Yang Li, Zhi Shen, Guo Zang, Wen-Jun Lv
Summary: In this study, five metal complexes were synthesized using a solvothermal reaction and their structures were analyzed by single crystal X-ray diffraction. Fluorescence and magnetic properties of some complexes were also investigated.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Jeremy Erb, Darcy Setter, Jake Swavey, Frederick Willits, Shawn Swavey
Summary: Three BODIPY-Ru(II) complexes were synthesized by coordinating [Ru(bpy)2Cl]+ complexes to BODIPY ligands. The spectroscopic and electrochemical properties of the complexes were characterized. The complexes exhibited intense absorption peaks due to the pi pi* transitions localized on the BODIPY core, and additional charge transfer transitions associated with the metal center. The complexes showed significant singlet oxygen generation and were able to induce photo-nicking of DNA.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Sahin Reja, Dilip Sarkar, Kaushik Sarkar, Deboshmita Mukherjee, T. K. S. Fayaz, Palash Sanphui, Rajesh Kumar Das
Summary: A promising bioinspired metallocatalyst has been produced and characterized, showing high catalytic activity in oxygen dependant enzymatic radical pathway. The catalyst also exhibits inter and intra molecular H-bonding and C-H-pi interactions.
INORGANICA CHIMICA ACTA
(2024)