Article
Chemistry, Inorganic & Nuclear
Alessio Nicolini, Trey C. Pankratz, Marco Borsari, Rodolphe Clerac, Antonio Ranieri, Mathieu Rouzieres, John F. Berry, Andrea Cornia
Summary: Two tripodal oligo-& alpha;-pyridylamido ligands with interdigitated branches and 26 nitrogen donors form a trigonally symmetric coordination nanospace that accommodates a mixed valence iron cluster of much lower symmetry. This compound exhibits a large room-temperature magnetic moment and behaves as a single-molecule magnet, offering an appealing route to polyiron complexes. Bond valence sum (BVS) analysis and density functional theory (DFT) calculations were used to establish the protonation state of oxygen atoms and the formal oxidation states of the metals, revealing the structure and properties of the compound. Broken-symmetry DFT calculations predict strong ferromagnetic coupling between the two iron(II) ions, leading to a local S = 4 state that persists to room temperature and explaining the large magnetic moment measured at 300 K. The compound behaves as a single-molecule magnet, with detectable magnetization dynamics dominated by an Orbach-like mechanism.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Jeong-Yu Son, Santeri Aikonen, Nathan Morgan, Alexander S. Harmata, Jesse J. Sabatini, Rosario C. Sausa, Edward F. C. Byrd, Daniel H. Ess, Robert S. Paton, Corey R. J. Stephenson
Summary: Cuneane, a strained hydrocarbon, can be accessed via metal-catalyzed isomerization of cubane. It has a polyhedral structure with six faces of different shapes. The rigidity and unique properties make it a potential scaffold for the synthesis of small molecules and materials. However, previous synthetic efforts have been limited to monosubstituted or redundantly substituted cuneanes, and more complex substitution patterns are needed for the study of this ring system in various applications.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Inorganic & Nuclear
Lukas Lohmeyer, Elisabeth Kaifer, Hans-Joerg Himmel
Summary: This study investigates the redox properties of cobalt complexes with redox-active bisguanidine ligands, and fine-tuning of the electronic structure is achieved through systematic modifications at the ligand units. The first observation of redox isomerism for cobalt complexes with redox-active guanidine ligands is reported.
INORGANIC CHEMISTRY
(2022)
Article
Multidisciplinary Sciences
Raphael M. Jay, Ambar Banerjee, Torsten Leitner, Ru-Pan Wang, Jessica Harich, Robert Stefanuik, Hampus Wikmark, Michael R. Coates, Emma V. Beale, Victoria Kabanova, Abdullah Kahraman, Anna Wach, Dmitry Ozerov, Christopher Arrell, Philip J. M. Johnson, Camelia N. Borca, Claudio Cirelli, Camila Bacellar, Christopher Milne, Nils Huse, Grigory Smolentsev, Thomas Huthwelker, Michael Odelius, Philippe Wernet
Summary: The reactivity of transition metals toward carbon-hydrogen (C-H) bonds depends on the interaction between electron donation and withdrawal at the metal center. Manipulating this reactivity is challenging due to the difficulty in accessing metal-alkane charge-transfer interactions experimentally. However, using time-resolved x-ray spectroscopy, researchers have been able to track the charge-transfer interactions during C-H activation of octane by a cyclopentadienyl rhodium carbonyl complex. The spectroscopic data reveal changes in oxidation state, valence-orbital energies, and character, providing insights into the stability of metal-alkane complexes and the cleavage of C-H bonds.
Article
Chemistry, Multidisciplinary
Lili Wang, Johannes Karges, Fangmian Wei, Lina Xie, Zhuoli Chen, Gilles Gasser, Liangnian Ji, Hui Chao
Summary: Conventional photodynamic therapy mainly affects primary tumors, while complementary immunotherapy is effective in eliminating small, non-localized tumors. We report the development of a highly potent immunogenic cell death inducing photosensitizer, Ir-pbt-Bpa, for two-photon photodynamic immunotherapy against melanoma. Upon light irradiation, Ir-pbt-Bpa can induce cell death through a combination of ferroptosis and immunogenic cell death, leading to a strong reduction in tumor size.
Article
Chemistry, Physical
Hai L. Feng, Chang-Jong Kang, Pascal Manuel, Fabio Orlandi, Yu Su, Jie Chen, Yoshihiro Tsujimoto, Joke Hadermann, Gabriel Kotliar, Kazunari Yamaura, Emma E. McCabe, Martha Greenblatt
Summary: Pb2NiOsO6 is a metallic and antiferromagnetic oxide that shows a single transition at low temperatures, with three-dimensional connectivity. Neutron powder diffraction and first-principles calculation studies indicate that both Ni and Os moments are ordered below the transition temperature, breaking inversion symmetry. This unusual loss of inversion symmetry in metallic systems makes the 3d-Sd double-perovskite oxides a new class of noncentrosymmetric antiferromagnetic metallic oxides.
CHEMISTRY OF MATERIALS
(2021)
Review
Chemistry, Multidisciplinary
Ming Luo, Dafa Chen, Qian Li, Haiping Xia
Summary: Aromatic compounds play important roles in synthetic chemistry, biomedicines, and materials science. Transition-metal-based metallaaromatics, as a special type of aromatic complex, have a transition metal in an aromatic framework. The properties and applications of metallaaromatics are constantly emerging.
ACCOUNTS OF CHEMICAL RESEARCH
(2023)
Article
Chemistry, Inorganic & Nuclear
Xiao-Lin Liu, Xiao-Yi Zhang, Hai-Xia Zhao, La-Sheng Long, Lan-Sun Zheng
Summary: This study constructed a linear Cu-3 compound with a multi-center donor-acceptor architecture using a redox-active chloranilic acid quinoid ligand and demonstrated the effectiveness of dielectric measurement in detecting charge transfer.
DALTON TRANSACTIONS
(2022)
Review
Chemistry, Inorganic & Nuclear
Javier A. Cabeza, Pablo Garcia-alvarez
Summary: This article discusses the use of heavier tetrylenes as ligands in transition metal chemistry, focusing on reactions that have produced complexes with cyclometallated HTs. Eight HT ligands have been reported to undergo cyclometallation, with some catalytic applications also being surveyed.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Jaime Ponce-de-Leon, Guillermo Marcos-Ayuso, Juan A. Casares, Pablo Espinet
Summary: An efficient Pd/Cu bimetallic cross-coupling catalysis for fluoroaryl halides and fluoroarenes is reported. The in situ generation of Cu nucleophile through rate-determining C-H activation of highly fluorinated aryls (>=4 F atoms) leads to high selectivity in cross-coupling reactions with minimal formation of homocoupling products.
CHEMICAL COMMUNICATIONS
(2022)
Article
Multidisciplinary Sciences
Pritam Sadhukhan, Shu-Qi Wu, Shinji Kanegawa, Sheng-Qun Su, Xiaopeng Zhang, Takumi Nakanishi, Jeremy Ian Long, Kaige Gao, Rintaro Shimada, Hajime Okajima, Akira Sakamoto, Joy G. Chiappella, Myron S. Huzan, Thomas Kroll, Dimosthenis Sokaras, Michael L. Baker, Osamu Sato
Summary: Energy harvesting by utilizing optical control has emerged as a promising solution to alleviate energy and environmental crisis. However, it is challenging to realize nano-scale energy storage and conversion in the same material. Here the authors report a nonferroelectric molecular [CoGa] crystal that uses light as an external stimulus to exhibit photoenergy conversion and energy storage properties.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Ashley J. Schuman, Adharsh Raghavan, Susannah D. Banziger, You Song, Zhao-Bo Hu, Brandon L. Mash, Andrew L. Williams, Tong Ren
Summary: This study presents the synthesis and characterization of Cr-III(HMC) catecholate and semiquinonate complexes, along with their structural, electrochemical, spectroscopic, and magnetic properties. The reversible oxidation of catecholate and strong antiferromagnetic coupling in the semiquinonate complex were observed. Additionally, density functional theory analysis revealed differences in the electronic structures of the complexes.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Yu-Ying Yang, Xiao-Quan Zhu, Jean-Pierre Launay, Cheng-Bin Hong, Shao-Dong Su, Yue-Hong Wen, Xin-Tao Wu, Tian-Lu Sheng
Summary: By synthesizing trimetallic isocyanidometal-bridged compounds with different oxidation states, the electron transfer process in oxidation reactions was investigated. The bridged states and mixed-valence states were simultaneously observed in N3+ compounds, while the electron transfer bridge excited state became more stable in N4+ compounds.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Wanli Zhou, Yuecen Guan, Yanping Zheng, Xiao Chen, Jinyang Li, Xuekun Liu, Jun Peng
Summary: Three new organic-inorganic compounds based on polyoxometalates were synthesized and their structures were analyzed. The electrocatalytic activities of these compounds were studied, and one of them showed better bifunctional electrocatalytic activity. The electronic structures of these compounds were analyzed using density functional theory calculations, and the electron charge distribution was explained using natural bond orbital analysis.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Physical
M. Atanasov, N. Spiller, F. Neese
Summary: This study uses first principles calculations to simulate magnetic and spectroscopic data, providing an explanation for the stability of a mixed valence binuclear transition metal complex. The study also proposes a new model to interpret the magnetic behavior of the complex.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Inorganic & Nuclear
Sung-Kwan Kim, Sung-Ahn Hong, Ho-Jin Son, Won-Sik Han, Artur Michalak, Son-Jong Hwang, Sang Ook Kang
DALTON TRANSACTIONS
(2015)
Article
Chemistry, Organic
Szymon Buda, Miroslaw Nawoj, Patrycja Golebiowska, Karol Dyduch, Artur Michalak, Jacek Mlynarski
JOURNAL OF ORGANIC CHEMISTRY
(2015)
Article
Materials Science, Multidisciplinary
Wiebke Germer, Janine Leppin, Carolina Nunes Kirchner, Hyeongrae Cho, Hyoung-Juhn Kim, Dirk Henkensmeier, Kwan-Young Lee, Mateusz Brela, Artur Michalak, Alexander Dyck
MACROMOLECULAR MATERIALS AND ENGINEERING
(2015)
Article
Chemistry, Physical
Dirk Henkensmeier, Ngoc My Hanh Duong, Mateusz Brela, Karol Dyduch, Artur Michalak, Katja Jankova, Hyeongrae Cho, Jong Hyun Jang, Hyoung-Juhn Kim, Lars N. Cleemann, Qingfeng Li, Jens Oluf Jensen
JOURNAL OF MATERIALS CHEMISTRY A
(2015)
Article
Polymer Science
Hyeongrae Cho, Dirk Henkensmeier, Mateusz Brela, Artur Michalak, Jong Hyun Jang, Kwan-Young Lee
JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS
(2017)
Article
Chemistry, Multidisciplinary
Silvia Diaz, Mateusz Z. Brela, Soledad Gutierrez-Oliva, Alejandro Toro-Labbe, Artur Michalak
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2017)
Article
Chemistry, Multidisciplinary
Filip Sebesta, Mateusz Z. Brela, Silvia Diaz, Sebastian Miranda, Jane S. Murray, Soledad Gutierrez-Oliva, Alejandro Toro-Labbe, Artur Michalak, Jaroslav V. Burda
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2017)
Article
Biochemistry & Molecular Biology
Piotr Talaga, Mateusz Z. Brela, Artur Michalak
JOURNAL OF MOLECULAR MODELING
(2018)
Article
Chemistry, Multidisciplinary
Karol Dyduch, Monika Srebro-Hooper, Bun Yeoul Lee, Artur Michalak
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2018)
Article
Chemistry, Inorganic & Nuclear
Malgorzata Brindell, Karol Dyduch, Agnieszka Adamowicz, Elzbieta Urbanowicz, Maria Oszajca, Artur Michalak, Grazyna Stochel, Rudi van Eldik
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2014)
Article
Chemistry, Inorganic & Nuclear
Mateusz Brela, Artur Michalak, Philip P. Power, Tom Ziegler
INORGANIC CHEMISTRY
(2014)
Article
Chemistry, Physical
Dirk Henkensmeier, Hyeongrae Cho, Mateusz Brela, Artur Michalak, Alexander Dyck, Wiebke Germer, Ngoc My Hanh Duong, Jong Hyun Jang, Hyoung-Juhn Kim, Nam-Suk Woo, Tae-Hoon Lim
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2014)
Article
Chemistry, Physical
Yevgen P. Yurenko, Jan Novotny, Mariusz P. Mitoraj, Vladimir Sklenar, Artur Michalak, Radek Marek
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2014)
Article
Chemistry, Multidisciplinary
Mariusz P. Mitoraj, Goran V. Janjic, Vesna B. Medakovic, Dusan Z. Veljkovic, Artur Michalak, Snezana D. Zaric, Milos K. Milcic
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2015)
Article
Biochemistry & Molecular Biology
Karol Dyduch, Mariusz P. Mitoraj, Artur Michalak
JOURNAL OF MOLECULAR MODELING
(2013)