Article
Chemistry, Multidisciplinary
Rizwan Nabi, Jakob K. Staab, Andrea Mattioni, Jon G. C. Kragskow, Daniel Reta, Jonathan M. Skelton, Nicholas F. Chilton
Summary: Molecular materials are important for the development of optoelectronic and quantum technologies, and the study of spin-phonon coupling is crucial for understanding energy transfer processes and spin dynamics. Ab initio methods can accurately calculate spin-phonon coupling and spin dynamics in molecular solids, as demonstrated in this study.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Materials Science, Multidisciplinary
Mizuki Miyajima, Fahmi Astuti, Takahito Fukuda, Masashi Kodani, Shinsuke Iida, Shinichiro Asai, Akira Matsuo, Takatsugu Masuda, Koichi Kindo, Takumi Hasegawa, Tatsuo C. Kobayashi, Takehito Nakano, Isao Watanabe, Takashi Kambe
Summary: Research on the low-temperature magnetism of sodium superoxide (NaO2) has revealed anomalies in magnetic susceptibility corresponding to structural phase transitions, a sudden decrease in magnetization at low temperatures, and the presence of a spin-singlet ground state. Raman scattering experiments have further shown the appearance of new peaks below specific transition temperatures, providing direct evidence of crystal symmetry changes and the presence of a spin-Peierls instability.
Article
Multidisciplinary Sciences
P. Padmanabhan, F. L. Buessen, R. Tutchton, K. W. C. Kwock, S. Gilinsky, M. C. Lee, M. A. McGuire, S. R. Singamaneni, D. A. Yarotski, A. Paramekanti, J-X Zhu, R. P. Prasankumar
Summary: The authors investigate the coupling between magnetically ordered spins and lattice distortions in CrI3 using ultrafast optical spectroscopy, revealing a coherent spin-coupled phonon mode. This discovery adds to the understanding of van der Waals materials and provides a new platform for exploring the optical control of magnetic and vibrational degrees of freedom at the nanoscale.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Fang Lu, Tao Shang, Yi-Quan Zhang
Summary: CASSCF calculations were performed on four novel two-coordinate Co(II) imido complexes, showing that shortening the CoN bond results in the decrease of total orbital angular momentum and weakening of spin-orbit coupling. The energy level splittings are influenced by the crystal field, while the decrease of axial symmetry is the most important factor for lower energy barriers in two-coordinate Co(II) imido complexes.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Physics, Multidisciplinary
Shyam Sundar, Nasrin Azari, Mariah R. Goeks, Shayan Gheidi, Mae Abedi, Michael Yakovlev, Sarah R. Dunsiger, John M. Wilkinson, Stephen J. Blundell, Tristin E. Metz, Ian M. Hayes, Shanta R. Saha, Sangyun Lee, Andrew J. Woods, Roman Movshovich, Sean M. Thomas, Nicholas P. Butch, Priscila F. S. Rosa, Johnpierre Paglione, Jeff E. Sonier
Summary: The authors investigate the existence of low-temperature magnetic clusters in single crystals of UTe2 using muon spin rotation and discuss their potential relationship with the temperature dependent behavior of the specific heat.
COMMUNICATIONS PHYSICS
(2023)
Article
Multidisciplinary Sciences
Nan Xia, Jianpei Xing, Di Peng, Shiyu Ji, Jun Zha, Nan Yan, Yan Su, Xue Jiang, Zhi Zeng, Jijun Zhao, Zhikun Wu
Summary: Nanoparticle assembly has great potential for various applications, but it is hindered by the uncertainty of composition and structure. This study introduces a new synthesis and assembly strategy to achieve precise assembly of nanoparticles with specific structures.
NATURE COMMUNICATIONS
(2022)
Article
Materials Science, Multidisciplinary
Qingmei Wu, Zhangzhang Cui, Mo Zhu, Zhongyuan Jiang, Zhengping Fu, Yalin Lu
Summary: In this work, a controllable switch between antisymmetric and symmetric magnetoresistance (MR) is reported in a Fe3GeTe2 (FGT)/graphite/FGT trilayer with modified vertical geometry. The antisymmetric MR is found to result from the local nonequilibrium current through the trilayer, which can be affected by the spatial distribution, current direction, and magnetization configuration. The introduction of an exchange bias effect can modify the antisymmetric MR and enable stable multi-bit memory in the heterostructure, providing insights into improving storage density in other spin-valve structures.
Article
Chemistry, Inorganic & Nuclear
Javier Lopez-Cabrelles, Luis Escalera-Moreno, Ziqi Hu, Helena Prima-Garcia, Guillermo Minguez Espallargas, Alejandro Gaita-Arino, Eugenio Coronado
Summary: By rational design of three-dimensional MOFs, a gadolinium(III)-based MOF with unique coordination geometry and tiny magnetic anisotropy was synthesized, allowing for the preservation of quantum coherence of single Gd(III) qubit units and detection of Rabi oscillations at higher temperatures.
INORGANIC CHEMISTRY
(2021)
Article
Physics, Multidisciplinary
Jinsoo Park, Jin-Jian Zhou, Yao Luo, Marco Bernardi
Summary: Developing a microscopic understanding of spin decoherence is crucial for advancing quantum technologies. In this study, the authors present a computational approach that unifies the modeling of two main sources of phonon-induced spin decoherence and enables accurate predictions of spin relaxation and precession in semiconductors. Their findings highlight the significant role of vertex correction in the electron spin dynamics in solids, providing insights for the development of spin-based quantum technologies.
PHYSICAL REVIEW LETTERS
(2022)
Article
Physics, Condensed Matter
Mingqiang Gu, Y. H. Bai, G. P. Zhang, Thomas F. George
Summary: The microscopic coupling between electron spin and lattice vibration has a significant impact on the properties of materials. Traditional methods are not sufficient to fully capture the novel electromagnetic behaviors. It has been discovered that the concept of spin-phonon dispersion can map out the entire spin change and exhibit unique frequency branches in magnetic materials. This provides a new approach to understanding spin-lattice coupling in depth.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
Article
Multidisciplinary Sciences
Paul L. J. Helgers, James A. H. Stotz, Haruki Sanada, Yoji Kunihashi, Klaus Biermann, Paulo Santos
Summary: This study demonstrates the dynamic control of moving electron spins via contactless gates that move together with the spins. It realizes the control of electron spins by utilizing potential dots defined by a surface acoustic wave. The significance lies in providing a key component for on-chip spin information processing with a photonic interface.
NATURE COMMUNICATIONS
(2022)
Article
Materials Science, Multidisciplinary
C. Li, R. T. Harley, P. G. Lagoudakis, O. B. Wright, O. Matsuda
Summary: In this study, coherent phonon detection is linked to transient spin populations by optically exciting gigahertz picosecond phonon wave packets. Utilizing a heterodyne modulation technique, phonon-induced ultrafast polarization rotation and reflectivity changes based on the transient spin population are detected. A significant second-order interaction enabled by spins in coherent-phonon optical detection is suggested, with potential applications in transient spin population monitoring and novel spintronic nanodevices.
Article
Materials Science, Multidisciplinary
Marwan Deb, Elena Popova, Steffen Peer Zeuschner, Michel Hehn, Niels Keller, Stephane Mangin, Gregory Malinowski, Matias Bargheer
Summary: This paper investigates the magnetic, optical, and lattice responses of a Pt/Cu/Bi1Y2Fe5O12/Gd3Ga5O12 heterostructure to femtosecond laser excitation, revealing the generation of high-frequency standing spin waves in the dielectric Bi1Y2Fe5O12 layer through phonon-induced change of magnetic anisotropy. It is found that incoherent phonons can lead to both fast and slow decreases of magnetic order through different spin-phonon interaction scenarios.
Article
Chemistry, Multidisciplinary
Diego Lopez-Alcala, Alberto M. Ruiz, Jose J. Baldovi
Summary: Layered magnetic metal-organic frameworks (MOFs) have the potential to achieve high-TC magnetism at the 2D limit. This study investigates the exfoliation feasibility and analyzes the structural, electronic, magnetic, and vibrational properties of VCl2(pyz)(2) and CrCl2(pyz)(2) by first-principles calculations. The spin-phonon coupling (SPC) and thermal evolution of magnetic properties are also analyzed, providing insights for improving the performance of these magnetic 2D MOFs.
Article
Multidisciplinary Sciences
Alessandro Lunghi
Summary: Spin-phonon coupling plays a crucial role in spin relaxation and decoherence in solid-state semiconductors. This study combines advanced electronic structure methods with time-local master equations to predict spin-phonon relaxation times in various solid-state coordination compounds, demonstrating the feasibility of an accurate and fully ab initio implementation of spin relaxation theory.
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)