Article
Chemistry, Multidisciplinary
Abbey N. Ragan, Yannick Kraemer, Wang-Yeuk Kong, Supreeth Prasad, Dean J. Tantillo, Cody Ross Pitts
Summary: This study demonstrates the ability of main group elements such as tellurium to undergo reductive elimination of C-F bonds in superacidic media, revealing different modes of C-F bond formation and the generation of Te-IV cations. Utilizing DFT calculations, the mechanisms of the two unique reductive elimination reactions were investigated.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Allan J. Canty, Alireza Ariafard, Gerard van Koten
Summary: Density functional theory calculations elucidate the mechanism of bridge splitting of [(PtR2)-R-II(mu-SEt2)](2) and reveal differences in reaction pathways with different substituents and N-donor bromoarenes. This provides theoretical support for the synthesis of Pt-II pincer reagents.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Rosalyn L. Falconer, Gary S. Nichol, Ivan Smolyar, Scott L. Cockroft, Michael J. Cowley
Summary: This study presents a new class of organometallic compounds, dihydrodialanes supported by amidophosphine ligands. The ligand acts as a stereochemical reporter for reversible reductive elimination/oxidative addition chemistry involving Al-I and Al-III intermediates.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Review
Environmental Sciences
Aaron Malone, Linda Figueroa, Weishi Wang, Nicole M. Smith, James F. Ranville, David C. Vuono, Francisco D. Alejo Zapata, Lino Morales Paredes, Jonathan O. Sharp, Christopher Bellona
Summary: Artisanal and small-scale gold mining (ASGM) is the leading global source of anthropogenic mercury (Hg) release to the environment. To support future inquiry, we identify key knowledge gaps including the role of Hg-CN complexes in mercury oxidation, transport, and fate, and possible links to mercury methylation. The global extent and increase of mercury and cyanide processing in ASGM underscores the importance of further research.
SCIENCE OF THE TOTAL ENVIRONMENT
(2023)
Article
Chemistry, Multidisciplinary
Hanah Na, Michael B. Watson, Fengzhi Tang, Nigam P. Rath, Liviu M. Mirica
Summary: In this study, a stable Ni-III dichloride complex supported by a tetradentate pyridinophane N-donor ligand was isolated, characterized, and found to undergo efficient photoreductive chlorine elimination upon irradiation in both solution and solid-state. The (NiCl2)-Cl-III species can be regenerated via a reaction with PhICl2.
CHEMICAL COMMUNICATIONS
(2021)
Article
Water Resources
Neetu Singh, Chandrajit Balomajumder
Summary: This study tested the efficiency of water hyacinth in removing phenol and cyanide from water, finding that the plant was capable of effectively eliminating both pollutants at various concentrations. Additionally, the absorption of these pollutants was shown to impact the biochemical parameters of the water hyacinth plant.
APPLIED WATER SCIENCE
(2021)
Article
Chemistry, Inorganic & Nuclear
Aliyu A. Ahmad, T. Gamze Ulusoy Ghobadi, Muhammed Buyuktemiz, Ekmel Ozbay, Yavuz Dede, Ferdi Karadas
Summary: This study demonstrates the tunability of water oxidation activities of catalytic cobalt sites in Prussian blue structure by modifying its coordination sphere, providing a new approach to enhance the intrinsic water oxidation activity of catalytic sites.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Mohammadjavad Karimi, Francois P. Gabbai
Summary: This study reports the synthesis and photoreduction of a complex featuring a tetravalent platinum center connected to a germyl ligand. In the presence of a chlorine trap, the complex undergoes a clean photolysis to produce two different products, which were confirmed and quantified using NMR spectroscopy and GC-MS analysis.
Article
Chemistry, Inorganic & Nuclear
Mohsen Golbon Haghighi, Elin Sarkissian, Hamidreza Samouei
Summary: In this study, the electrophilic fluorination of bisaryl-platinum(II) complexes leading to an unusually fast Ar-Ar reductive elimination reaction instead of Ar-F elimination was investigated. The bisphosphine bisaryl-platinum(II) complex reacted with NFSI to produce the biaryl product with a yield of over 90% within less than 30 minutes at room temperature. Additionally, the influence of ancillary ligands on the Ar-Ar reductive elimination reaction was studied by modifying their steric and electronic effects, and the stability of some platinum fluoride complexes in the presence of water was also examined.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2022)
Article
Multidisciplinary Sciences
Hiroki Shudo, Motonobu Kuwayama, Masafumi Shimasaki, Taishi Nishihara, Youhei Takeda, Nobuhiko Mitoma, Takuya Kuwabara, Akiko Yagi, Yasutomo Segawa, Kenichiro Itami
Summary: In this study, perfluorocycloparaphenylenes (PFCPPs), a class of ring-shaped perfluoroarenes, were synthesized through a one-pot method using macrocyclic nickel complexes. The molecular structures and properties of the synthesized PFCPPs were confirmed, and they were found to have wide HOMO-LUMO gaps, high reduction potentials, and strong phosphorescence at low temperature. PFCPPs have potential applications as electron-accepting organic materials and for creating topologically unique molecular nanocarbon materials.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Marie Kobylarski, Liam J. Donnelly, Jean-Claude Berthet, Thibault Cantat
Summary: Cp2Zr(H)Cl has been used as a stoichiometric reagent for the reduction of unsaturated organic molecules. Recently, it has been developed as a catalyst by turnover of the [Zr]-X intermediates formed upon reaction with an organic substrate, using hydride reagents. In this study, a new catalytic pathway for the reduction of esters using Cp2Zr(H)Cl as the catalyst and a bench-stable silane, Me(OMe)(2)SiH (DMMS), as a mild stoichiometric reductant is reported. The methodology showed high yields of alcohols and proved effective for the depolymerisation of polyesters found in household plastic waste.
Article
Chemistry, Physical
Eric D. Kalkman, Yehao Qiu, John F. Hartwig
Summary: Palladium-catalyzed fluoroalkylations of aryl halides are important reactions for the synthesis of biologically active compounds. This study investigates the effects of fluoroalkyl ligands on the reaction mechanism and finds that secondary orbital interactions play a key role in determining the reaction barrier.
Article
Chemistry, Multidisciplinary
Alexa Caise, Agamemnon E. Crumpton, Petra Vasko, Jamie Hicks, Caitilin McManus, Nicholas H. Rees, Simon Aldridge
Summary: This study reports the synthesis of a distannyne supported by a pincer ligand with pendant amine donors, which can activate E-H bonds at tin centers through dissociation of N-Sn donor/acceptor interactions. This chemistry allows the assembly of mixed-valence tin atom chains, with a decreasing propensity for chain growth as chain length increases, potentially due to the electron-withdrawing properties of the -Sn(Ar)H- backbone units generated via oxidative addition.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Multidisciplinary Sciences
Talshyn Begildayeva, Ahreum Ahn, Shreyanka Shankar Naik, Seung Jun Lee, Jayaraman Theerthagiri, Tae Ho Kim, Myong Yong Choi
Summary: Different nitrile solvents were investigated for CuCN formation through quantum chemical calculations, leading to the development of a new PLAL method. Acetonitrile yielded CuCN with a cube-like structure, while other solvents produced spherical Cu@GC nanoparticles. The theoretical study on binding energies of nitrile solvents was confirmed by basic sets of B3LYP and MP2, consistent with experimental outcomes for potential applications in novel metal-polymer materials.
SCIENTIFIC REPORTS
(2021)
Article
Chemistry, Multidisciplinary
Han Gao, Lingfei Hu, Yanlei Hu, Xiangying Lv, Yan-Bo Wu, Gang Lu
Summary: The origins of ligand effects on PhCF3 reductive elimination from Pd-II complexes were investigated computationally using energy decomposition analysis. The results show that weak electrostatic interactions between ligands and Ph-Pd-CF3 result in low barriers for PhCF3 reductive elimination. Two major factors affecting the electrostatic interactions were identified.
CHEMISTRY-AN ASIAN JOURNAL
(2023)