Article
Chemistry, Multidisciplinary
Luis I. Domenianni, Markus Bauer, Till Schmidt-Raentsch, Joerg Lindner, Sven Schneider, Peter Voehringer
Summary: Transition-metal nitrides/nitrenes are promising reagents for catalytic nitrogen-atom-transfer reactions. They are prepared in situ via optically induced N-2 elimination from azido precursors. This study elucidates the primary molecular-level mechanisms responsible for the formation of a unique platinum(II) nitrene with a triplet ground state from a closed-shell platinum(II) azide precursor.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Review
Chemistry, Multidisciplinary
F. Dankert, C. Hering-Junghans
Summary: Research on heavier group 13/15 multiple bonds has shown that they are synthetically feasible, leading to the creation of new compounds such as phospha- and arsaalumenes. These findings demonstrate the obsoleteness of the traditional double bond rule and highlight the synthetic potential of these chemical bonds.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Zhong-hua Cui, Yu-qian Liu, Runfeng Huang, Meng-hui Wang, Bing Yan, Lili Zhao
Summary: Unexpected linear group 13 E-E triple bonds were found in D-3h-symmetry E2M5+ (M = Li, Na, and K) clusters, with a M-E E-M form perfectly surrounded by M-3 motifs. The nonbonded electron density of heavier main-group elements is crucial for the trans-bent geometry, but it is suppressed in E2M5+, resulting in two degenerate pi bonds and one multi-center sigma bond.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Birgit Fuchs, Dirk Johrendt, Lkhamsuren Bayarjargal, Hubert Huppertz
Summary: CrB4O6N crystallizes in a non-centrosymmetric space group and is the first high-pressure oxonitridoborate. It consists of starlike-shaped entities of four BO3N tetrahedra connected via one common nitrogen atom, and contains a tetrahedral building unit in contrast to other oxonitridoborates.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Review
Chemistry, Inorganic & Nuclear
E. Maslowsky Jr
Summary: In contrast to the extensive research on transition metal carbonyl complexes, the study of carbonyl complexes of main-group elements has only recently begun. Several carbonyl complexes of main-group elements have been reported, possessing various structures and bonding types as neutral, anionic, or cationic species, or as CO complexes on different surfaces. These complexes offer new possibilities in synthetic and catalytic chemistry, and contribute to our understanding of chemical bonding. Vibrational studies, especially the recording of infrared spectra, have played a crucial role in verifying the preparation and determining the structures of these often-unstable complexes. Theoretical calculations have also been used to assign vibrational spectra and predict the structures and stabilities of hypothetical complexes.
COORDINATION CHEMISTRY REVIEWS
(2023)
Article
Chemistry, Physical
Kwanwook Jung, Soohyung Park, Jisu Yoo, Na Eun Jung, Byung Joon Moon, Sang Hyun Lee, Yeonjin Yi, Hyunbok Lee
Summary: The energy cascade structure utilizing multiple light-absorbing layers is seen as a promising design to address the limitations of small-molecule organic photovoltaics. By ensuring a significant overlap between the emission and absorption spectra of the layers, as well as efficient charge transport, high power conversion efficiency can be achieved. The precise alignment of energy levels in DBP/RUB/DPT layers facilitates efficient hole transport and the formation of an interface dipole for aligning charge neutrality levels in the organic layers.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Physical
Sudarson S. Sinha, Lena Yadgarov, Sokhrab B. Aliev, Yishay Feldman, Iddo Pinkas, Pallellappa Chithaiah, Saptarshi Ghosh, Alexander Idelevich, Alla Zak, Reshef Tenne
Summary: This study presents advancements in the synthesis of MoS2 nanotubes, achieving narrower size distribution and better crystallinity. Analysis of X-ray diffraction data confirms the improved crystallinity and size of the nanotubes.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Multidisciplinary
Tino P. Golub, Ayham H. Abazid, Boris J. Nachtsheim, Christian Merten
Summary: In this study, vibrational circular dichroism (VCD) spectroscopy was used as an experimental technique to verify DFT-calculated chiral iodane structures. The research revealed that an undescribed cationic chiral iodane was the most common intermediate under oxidative conditions, with significant intramolecular interactions and no significant interactions with potential anionic ligands. Aggregation of the substrates resulted in the formation of a non-coordinating anionic hydrogen bonded complex.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Yaprak Subasi, Elif Sena Tekin, Yurii Prots, Franziska Jach, Mehmet Somer, Semih Afyon, Peter Hoehn
Summary: A transparent, dark orange Ba[Au(N-3)(4)](2)·4 H2O compound was synthesized by reacting nitrite and gold salt in aqueous solution. This compound is highly explosive.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Aishvaryadeep Kaur, David J. D. Wilson
Summary: A theoretical investigation has been conducted to assess the bonding and electronic structure of ligand-stabilized MX diatomics (M = group 13, X = group 15 element) with N-heterocyclic carbene (NHC) ligands. The study suggests that binding of two ligands in the form L-MX-L is generally more favorable than binding of a single ligand. The bonding between carbene and boron/nitrogen is described as an electron-sharing double bond with both sigma and pi bonding interactions, while bonding with carbon is best described as a donor-acceptor sigma single bond.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2022)
Article
Chemistry, Physical
Zheming Ouyang, Changjian Xie
Summary: The absorption spectra of propargyl cations H2C3H+ and D2C3D+ were successfully simulated using an efficient two-dimensional quantum model, showing good agreement with experimental results and validating the model's effectiveness.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Inorganic & Nuclear
Daniel Duvinage, Marvin Janssen, Enno Lork, Hansjoerg Gruetzmacher, Stefan Mebs, Jens Beckmann
Summary: The synthesis and reactivity of heavier group 13 phosphaketene complexes were investigated and characterized. The electronic structure analysis revealed distinct bonding characteristics of the PCO fragment in these compounds.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Multidisciplinary
Bin Li, Blaise L. Geoghegan, Hanns M. Weinert, Christoph Wolper, George E. Cutsail, Stephan Schulz
Summary: This article reports the synthesis of carbene-stabilized group 13 metal radicals and their corresponding cations, which were characterized spectroscopically and by sc-XRD. Quantum chemical calculation provided insights into their electronic structures.
CHEMICAL COMMUNICATIONS
(2022)
Article
Multidisciplinary Sciences
Yiming Chen, Chi Chen, Chen Zheng, Shyam Dwaraknath, Matthew K. Horton, Jordi Cabana, John Rehr, John Vinson, Alan Dozier, Joshua J. Kas, Kristin A. Persson, Shyue Ping Ong
Summary: The study reports the development of a database of computed L-edge XANES using FEFF9 code based on multiple scattering theory, aiming to address the research community's need for L-edge XANES spectra.
Article
Chemistry, Multidisciplinary
Jakob Lebon, Damir Barisic, Caecilia Maichle-Moessmer, Reiner Anwander
Summary: This article reports the synthesis of a novel yttrium gallabenzene complex from Y(GaMe4)(3) and K(2,4-dtbp) through a tandem salt metathesis/methane elimination reaction, as well as the reactivity of this complex with various Lewis bases.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Thomas Saal, Zsofia E. Blastik, Ralf Haiges, Archith Nirmalchandar, Amanda F. Baxter, Karl O. Christe, Monica Vasiliu, David A. Dixon, Petr Beier, G. K. Surya Prakash
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2020)
Article
Chemistry, Inorganic & Nuclear
Rasha Hamze, Savannah C. Kapper, Daniel Sylvinson Muthiah Ravinson, Ralf Haiges, Peter Djurovich, Mark E. Thompson
Article
Chemistry, Multidisciplinary
Rasha Hamze, Muazzam Idris, Daniel Sylvinson Muthiah Ravinson, Moon Chul Jung, Ralf Haiges, Peter Djurovich, Mark E. Thompson
FRONTIERS IN CHEMISTRY
(2020)
Article
Chemistry, Inorganic & Nuclear
Alon Chapovetsky, Jeffrey J. Liu, Matthew Welborn, John M. Luna, Thomas Do, Ralf Haiges, Thomas F. Miller, Smaranda C. Marinescu
INORGANIC CHEMISTRY
(2020)
Article
Multidisciplinary Sciences
Bo Sun, Shanyuan Niu, Raphael P. Hermann, Jaeyun Moon, Nina Shulumba, Katharine Page, Boyang Zhao, Arashdeep S. Thind, Krishnamurthy Mahalingam, JoAnna Milam-Guerrero, Ralf Haiges, Matthew Mecklenburg, Brent C. Melot, Young-Dahl Jho, Brandon M. Howe, Rohan Mishra, Ahmet Alatas, Barry Winn, Michael E. Manley, Jayakanth Ravichandran, Austin J. Minnich
NATURE COMMUNICATIONS
(2020)
Article
Electrochemistry
Ashley N. Hellman, Ralf Haiges, Smaranda C. Marinescu
Summary: The presence of available pendant protons in electrocatalysts enhances catalytic activity for the reduction of CO2 to CO, leading to changes in electrochemical behavior due to intermolecular hydrogen bonding interactions.
Correction
Optics
Shanyuan Niu, Graham Joe, Huan Zhao, Yucheng Zhou, Thomas Orvis, Huaixun Huyan, Jad Salman, Krishnamurthy Mahalingam, Brittany Urwin, Jiangbin Wu, Yang Liu, Thomas E. Tiwald, Stephen B. Cronin, Brandon M. Howe, Matthew Mecklenburg, Ralf Haiges, David J. Singh, Han Wang, Mikhail A. Kats, Jayakanth Ravichandran
Article
Chemistry, Multidisciplinary
Ashwani Vij, William W. Wilson, Ralf Haiges, Kyle C. Edwards, David A. Dixon, Karl O. Christe
Summary: The crystal structures of [NH3F](+)[CF3SO3](-), [NH2F2](+)[SbF6](-), and [N2F3](+)[Sb3F16](-) have been determined for the first time. The influences of the hybridization of the central nitrogen atom and the number of fluorine substituents on the N-F bond lengths have been evaluated. It is shown that the N-F bond length decreases with increasing fluorine substitution and increasing s-character of the nitrogen atom. Unusual N-F bond lengths reported in previous literature are caused by disorder problems.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Inorganic & Nuclear
Jeffrey J. Liu, Alon Chapovetsky, Ralf Haiges, Smaranda C. Marinescu
Summary: This study investigates the mechanism of CO2 reduction by macrocyclic aminopyridine cobalt complexes and confirms the importance of deprotonated active states as well as the feasibility of deprotonated derivatives. Experimental results reveal the correlation between the catalyst conformation and reaction rate, highlighting the significance of the deprotonated active form for efficient CO2 reduction.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Eric M. Johnson, Jeffrey J. Liu, Adam D. Samuel, Ralf Haiges, Smaranda C. Marinescu
Summary: By modifying aminopyridine macrocycles to form L-NO2 and CoLNO2, changes in current and selectivity under N-2 and CO2 were observed, demonstrating the impact of structural modifications on catalytic performance.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Martin Moebs, David A. Dixon, Gabriel F. de Melo, Monica Vasiliu, Tim Graubner, Karl O. Christe, Florian Kraus
Summary: The purely chemical synthesis of fluorine, previously believed to be impossible, was achieved in 1986 but has not been further studied since then. The mechanism of this reaction has been a mystery until recently, when it was experimentally resolved and supported by electronic structure calculations. These findings clarified the previous discrepancy and showed that the reductive elimination of F-2 requires a large excess of SbF5, occurring in the last reaction step.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Alexander I. Kolesnikov, Aravind Krishnamoorthy, Ken-ichi Nomura, Zhongqing Wu, Douglas L. Abernathy, Ashfia Huq, Garrett E. Granroth, Karl O. Christe, Ralf Haiges, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta
Summary: The study investigates the structures, properties, and phonon density of iodine oxides I2Oy, providing insights into their potential applications in agent defeat materials.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Inorganic & Nuclear
Thomas Saal, Ralf Haiges, Karl O. Christe
Summary: The synthesis of trifluoromethylcarboxonium salts through low-temperature protonation was achieved and characterized. These salts are thermally unstable solids, stabilized by hydrogen bonding.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Jeremy A. Intrator, Nicholas M. Orchanian, Andrew J. Clough, Ralf Haiges, Smaranda C. Marinescu
Summary: In this study, a series of trinuclear cobalt complexes with dithiolene ligands were synthesized and characterized using X-ray crystallography and cyclic voltammetry. Strong resonance-stabilized coupling between metal centers was observed. Spectroelectrochemical studies revealed characteristic charge transfer bands in the multi-valent states of these complexes. Density functional theory calculations showed significant differences in the relative energies of frontier orbitals compared to analogous complexes with different capping ligands.
DALTON TRANSACTIONS
(2022)
