Article
Chemistry, Inorganic & Nuclear
Marti Gimferrer, Sergi Danes, Diego M. Andrada, Pedro Salvador
Summary: This study investigates the electronic structure of bismuth pincer complexes, revealing Bi(+1) for the NCN system and Bi(+3) for the NNN system. The central bismuth atom has up to two lone pairs for coordinating Lewis acids, and the Bi-NNN systems can also accommodate two Lewis base ligands, indicating ambiphilic behavior. Effective fragment orbital analysis allows for monitoring the intricate electron flow and reveals the noninnocent nature of the NNN ligand.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Gabriel Dunes, Albert Soran, Cristian Silvestru
Summary: A series of new organopnictogen compounds were synthesized via salt elimination reactions, and their structures and properties were characterized.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Multidisciplinary
Levente Kiss, Sergiu Shova, Mihaela Vlassa, Anca Silvestru, Ciprian I. Rat, Cristian Silvestru
Summary: Compound 1 was prepared by direct mercuration, followed by treatment with LiCl to obtain compound 2 with high yield. The presence of acetate group in compound 1 was confirmed by IR spectroscopy. The crystal and molecular structures of both compounds were established using various spectroscopic techniques and X-ray diffraction.
REVUE ROUMAINE DE CHIMIE
(2021)
Article
Chemistry, Multidisciplinary
Wing Hei Marco Wong, Xueying Guo, Hok Tsun Chan, Tilong Yang, Zhenyang Lin
Summary: Heavier main-group element-catalyzed reactions have become an increasingly attractive tool for mimicking the behaviors of transition metal catalysts. The Bi-catalyzed synthesis of aryl sulfonyl fluorides reported by Magre and Cornella exhibits the ability of hypervalent coordination of the Bi(III) center and the high polarity of the Bi-Ph bond, allowing the heavier main-group element to resemble the transition metal in ligand association and dissociation flexibility. Additionally, the migrating Ph group's available pi electron pair stabilizes the SO2 insertion transition state by maintaining interaction with the Bi(III) center during migration.
CHEMISTRY-AN ASIAN JOURNAL
(2023)
Article
Chemistry, Physical
Swathy Suku, Reena Ravindran
Summary: Two proton transfer compounds were synthesized using different reactions, characterized by multiple analysis methods, with one crystallizing in the tetragonal crystal system and the other in the monoclinic crystal system.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Multidisciplinary
Gabriel Dunes, Albert Soran, Cristian Silvestru
Summary: This article reports a method for preparing a monoorganoantimony(III) dichloride, which has a unique crystal and molecular structure. The organic group acts as a pincer ligand, strongly coordinated to the metal center and leading to a special geometry. Additionally, intermolecular interactions were observed in the solid state, resulting in a three-dimensional supramolecular structure.
REVUE ROUMAINE DE CHIMIE
(2022)
Article
Chemistry, Inorganic & Nuclear
Lauren M. Anderson-Sanchez, Jason M. Yu, Joseph W. Ziller, Filipp Furche, William J. Evans
Summary: The sterically bulky aryloxide ligand OAr* has been used to synthesize thermally stable Ln(II) complexes across the lanthanide series. Reduction of Ln(III) precursors Ln(OAr*)3 with potassium graphite and 2.2.2-cryptand yielded the Ln(II) complexes. The La and Ce complexes were challenging to isolate but could be obtained with the use of 18-crown-6 as a potassium chelator.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Justin C. Wedal, Jesse Murillo, Joseph W. Ziller, Brian L. Scott, Andrew J. Gaunt, William J. Evans
Summary: Me3tach readily complexes uranium triiodide to form (Me3tach)2UI3, which is soluble in THF and arenes and can serve as a source of UI3 to form organometallic U(III) complexes. When dissolved in pyridine, (Me3tach)2UI3 forms (Me3tach)UI3(py)2. A comparison was made with a related complex (Me3tacn)UI3(THF) using the larger ligand Me3tacn. Neptunium and plutonium complexes (Me3tach)2NpI3 and (Me3tach)2PuI3 were synthesized in a similar manner.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Dmitrij Rappoport, Samuel Bekoe, Luke Nambi Mohanam, Scott Le, Naje' George, Ziyue Shen, Filipp Furche
Summary: This article presents the design and implementation of libkrylov, an open-source library for solving matrix-free eigenvalue, linear, and shifted linear equations using Krylov subspace methods. The key features of libkrylov include flexible API design, modular structure, and integration with specialized matrix-vector evaluation engines.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2023)
Article
Polymer Science
Zachary A. Wood, Megan E. Fieser
Summary: This study investigates the one-pot synthesis of block and random polyesters using yttrium salt catalysts through ring opening copolymerization. It is found that the final polymer morphology can be accurately predicted when a single anhydride is present, but additional data is required for mixtures of anhydrides. The findings have important implications for understanding monomer sequence and future research.
Article
Chemistry, Physical
Yvonne Manjarrez, Allison M. Clark, Megan E. Fieser
Summary: By using a phosphonium chloride ionic liquid as both the cocatalyst and solubilizing agent, a metal-containing ionic liquid (MIL) is formed, which leads to significantly faster polymerization rates and higher molecular weight polyesters compared to the original system.
Article
Chemistry, Inorganic & Nuclear
Amanda B. Chung, Cary R. Stennett, William N. G. Moore, Ming Fang, Joseph W. Ziller, William J. Evans
Summary: The reduction of tris(amide) complexes Ln(NR2)3 (R = SiMe3) with potassium graphite in the presence of various ethers demonstrates high reactivity, as shown by crystal structures of different C-O bond cleavage reactions. The study also highlights the diverse reaction pathways and difficulties in isolating Ln(II) complexes containing the [Ln(NR2)3]1- anion.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Cary R. Stennett, Joseph Q. Nguyen, Joseph W. Ziller, William J. Evans
Summary: The feasibility of using redox-active 2,2'-bipyridine as an electron carrier for lanthanide metallocenes was examined. The synthesis and characterization of Cp*2LnCl-(bipy) and Cp*2Ln(bipy) complexes were carried out. The complexes were then used to achieve two-electron reduction chemistry, including the reduction of azobenzene and the formation of lanthanide organometallic complexes with a (S5)2- ligand.
Article
Nanoscience & Nanotechnology
William N. G. Moore, Timothy J. McSorley, Alexandre Vincent, Joseph W. Ziller, Luis A. Jauregui, William J. Evans
Summary: The utility of molecular precursors for constructing van der Waals heterostructures was explored by studying the compound [(THF)Cs(mu- eta 5:eta 5-Cp ')3TmII]. Thin films were successfully exfoliated from single crystals and stacked under hexagonal boron nitride to create an air-stable van der Waals heterostructure.
ACS APPLIED NANO MATERIALS
(2023)
Editorial Material
Public, Environmental & Occupational Health
Amanda B. B. Chung, Cy H. Fujimoto, William J. Evans
Summary: We present a narrative of an incident in a chemistry laboratory involving the purification of benzene using a distillation apparatus. The incident resulted in an injury to a graduate student and a fire causing $3.5 million in damages. Unfortunately, due to the extent of the fire, the direct cause of the incident could not be determined. Lessons learned from this incident include conducting risk assessments, maintaining proper lab housekeeping, updating chemical inventory, monitoring long duration experiments, calling for backup, ensuring compliance with building codes, wearing personal protective equipment, and always calling 911 during emergencies.
ACS CHEMICAL HEALTH & SAFETY
(2023)
Article
Chemistry, Inorganic & Nuclear
Cory J. Windorff, Conrad A. P. Goodwin, Joseph M. Sperling, Thomas E. Albrecht-Schonzart, Zhuanling Bai, William J. Evans, Zachary K. Huffman, Renaud Jeannin, Brian N. Long, David P. Mills, Todd N. Poe, Joseph W. Ziller
Summary: This study aimed to find a trivalent plutonium halide phosphine oxide compound but accidentally isolated a tetravalent plutonium halide compound, which was characterized using various techniques. A putative plutonyl complex was also observed, and a series of similar compounds were synthesized for comparison.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Joseph Q. Nguyen, Lauren M. Anderson-Sanchez, William N. G. Moore, Joseph W. Ziller, Filipp Furche, William J. Evans
Summary: The importance of the specific trialkylsilyl substituent in the cyclopentadienyl chemistry of C5H4SiR3 ligands has been demonstrated by the synthesis of low oxidation-state thorium complexes. Crystalline tris(monosilyl-substituted cyclopentadienyl) Th(III) and Th(II) complexes can be isolated when the substituent is isopropyl.
Article
Chemistry, Inorganic & Nuclear
Justin C. Wedal, Joseph W. Ziller, William J. Evans
Summary: The reactions of 1,3,5-trimethyl-triazacyclohexane with rare-earth metal iodide, chloride, and triflate salts were investigated as alternative precursors for THF-free reactions. These reactions produced soluble (Me(3)tach)(2)LnI(3) and (Me(3)tach)(2)LnCl3 complexes with unique structures.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Multidisciplinary
Nancy G. Bush, Mikiyas K. Assefa, Selin Bac, Shaama Mallikarjun Sharada, Megan E. Fieser
Summary: In the presence of (xantphos)RhCl catalyst, reaction of poly(vinyl chloride) (PVC) with triethyl silane in THF leads to partial reduction of PVC via hydrodechlorination. Increasing catalyst loading or using N,N-dimethylacetamide (DMA) as a solvent decreases the selectivity for hydrodechlorination. Reaction of PVC with sodium formate in THF affords excellent selectivity for hydrodechlorination along with complete PVC dechlorination, while higher catalyst loadings are required. In contrast, reaction of PVC with NaH in DMA exhibits good selectivity for dehydrochlorination and higher reaction rates.
MATERIALS HORIZONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Kai D. Knight, Megan E. Fieser
Summary: A pyridine diimine cobalt catalyst series is used for the cyclodepolymerization (CDP) of various polyesters and polycarbonates, and a method capable of solvolysis and CDP on a polymer mixture in the same pot is identified. Strategies to modify these methods for use in mixed plastic waste streams are identified.
INORGANIC CHEMISTRY FRONTIERS
(2023)