Article
Chemistry, Multidisciplinary
Yiran Xia, Aiyou Hao, Pengyao Xing
Summary: Chalcogen and pnictogen bonding was used to control supramolecular chirality and optics in a multiple-constituent system. The results showed that the bonding induced morphological transformation and achieved chiroptical activities.
Article
Chemistry, Physical
Lucas de Azevedo Santos, Trevor A. Hamlin, Teodorico C. Ramalho, F. Matthias Bickelhaupt
Summary: The study discovered that pnictogen bonds have significant covalent character, with a mechanism similar to that of hydrogen, halogen, and chalcogen bonds.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Luca Muenzfeld, Adrian Hauser, Pauline Haedinger, Florian Weigend, Peter W. Roesky
Summary: A homoleptic lanthanide quadruple-decker was synthesized for the first time, with the inner Sm ion in a divalent state and the outer ions in a trivalent state. Quantum chemical calculations and mechanistic studies provided insights into the formation pathways and transformations of this complex.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Markus Bursch, Lukas Kunze, Amol M. Vibhute, Andreas Hansen, Kana M. Sureshan, Peter G. Jones, Stefan Grimme, Daniel B. Werz
Summary: Noncovalent interactions between azides and oxygen-containing moieties were investigated through computational study. Six new organic compounds with close intramolecular azide-oxygen contacts were synthesized, and a set of 44 high-quality gas-phase computational model systems were examined using different quantum mechanical methods. The nature of the noncovalent interaction, especially the roles of electrostatic and London dispersion interactions, were discussed, with London dispersion identified as a dominant factor.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Review
Biochemistry & Molecular Biology
Antonio Frontera, Antonio Bauza
Summary: This review gathers several examples of the application of pnictogen and chalcogen bonding interactions in organocatalytic processes, suggesting that it should be considered as a novel, promising tool in the field of organocatalysis.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Review
Chemistry, Multidisciplinary
Jingzhen Du, Philip J. Cobb, Junru Ding, David P. Mills, Stephen T. Liddle
Summary: This article reviews the complexes containing chemical bonds between f-elements and heavy pnictogens from phosphorus to bismuth. It emphasizes the achievements that have been made in this emerging field, as well as the remaining work to be done.
Article
Chemistry, Multidisciplinary
Kim Glootz, Antoine Barthelemy, Ingo Krossing
Summary: The compound is the first homoleptic olefin complex of any main-group metal accessible as a bulk compound, offering potential applications with its ability to adopt various oxidation states. Crystallographic, vibrational, and computational studies provide insights into the unique bonding between an olefin and a main-group metal, comparing it to classical transition-metal relatives.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Organic
Toshiki Fujii, Aya Urushizaki, Hiroaki Imoto, Kensuke Naka
Summary: In this study, we synthesized diheteroanthracene derivatives containing pnictogen (P, As, Sb) and chalcogen (O, S) elements with 8p-electron systems. Unlike pnictogen atoms, chalcogen atoms had a significant impact on the conformation of the diheteroanthracenes. Furthermore, the compounds containing sulfur exhibited larger Stokes shifts due to significant structural relaxations compared to the compounds containing oxygen. Computational calculations revealed that the bent conformations of sulfur-containing compounds planarized upon photoexcitation.
ASIAN JOURNAL OF ORGANIC CHEMISTRY
(2023)
Review
Multidisciplinary Sciences
Rahul Shuklaa, Deepak Chopra
Summary: Hydrogen bonding and halogen bonding interactions are well established as important noncovalent forces, while chalcogen bonding and pnictogen bonding interactions are increasingly gaining attention for their potential applications.
Article
Chemistry, Inorganic & Nuclear
Pablo Waldschmidt, Judith Riedhammer, Douglas R. Hartline, Frank W. Heinemann, Karsten Meyer
Summary: Transmetalation of potassium salts of differently substituted acetylacetonate and beta-ketoiminate with [U(I)3(dioxane)1.5] and [U(I)4(dioxane)2] resulted in the formation of homoleptic complexes with different oxidation states and geometric structures. The study also showed the influence of ligand substituents on the morphology and electrochemical properties of the complexes.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Guanjun Wang, Yangyu Zhou, Xiaoyang Jin, Jiaye Jin, Mingfei Zhou
Summary: The gas-phase production and characterization of homoleptic dinuclear beryllium carbonyl cation complexes reveal a coordination saturated complex consisting of two almost isoenergetic structural isomers. One isomer involves a beryllium-beryllium single-bonded structure, while the other features an unusual bridging carbonyl ligand with very low carbonyl stretching frequency.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Inorganic & Nuclear
Rosa M. Gomila, Antonio Frontera
Summary: This study investigates the peculiar behavior of Sb-Te bonds in solid state structures, analyzing the interactions between Te and Sb atoms. Through computational calculations, it is determined that Te atoms act as sigma-hole donors and Sb atoms act as electron density donors in the Sb-Te contacts.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2021)
Review
Chemistry, Inorganic & Nuclear
Kamran T. Mahmudov, Atash V. Gurbanov, Vusala A. Aliyeva, M. Fatima C. Guedes da Silva, Giuseppe Resnati, Armando J. L. Pombeiro
Summary: Chalcogen bond (ChB) is a relevant supramolecular tool in designing the secondary coordination sphere of metal complexes, contributing to the improvement of functional properties of materials. It is a noncovalent interaction between the electron density deficient region of a chalcogen atom and a nucleophilic site in the same or another molecular entity.
COORDINATION CHEMISTRY REVIEWS
(2022)
Article
Chemistry, Inorganic & Nuclear
Shiva Moaven, Olivia H. Villanueva, Daniel K. Unruh, Anthony F. Cozzolino
Summary: This study reports the structure of two stibatranes synthesized from triethanolamine and triisopropanolamine. The solid state structures reveal the presence of favorable inter- and intramolecular pnictogen bonds in these macrocycles. Solution studies and DFT analysis confirm the existence of an equilibrium mixture of monomers and pnictogen-bonded dimers.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Inorganic & Nuclear
Ryoto Inaba, Kouki Oka, Takahiro Iwami, Yusuke Miyake, Kunihiko Tajima, Hiroaki Imoto, Kensuke Naka
Summary: This study focuses on pnictogen-fused heterofluorenes and investigates their structures, reactivity with O2 and I2, coordination ability to AuCl, and photophysical properties to better understand the effects of pnictogen atoms on the nature of pi-conjugated molecules.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Kaisa Helttunen, Riia Annala, Aku Suhonen, Juho Iloniemi, Elina Kalenius, Gemma Aragay, Pablo Ballester, Heikki M. Tuononen, Maija Nissinen
CHEMISTRY-AN ASIAN JOURNAL
(2019)
Article
Chemistry, Multidisciplinary
Joshua D. Queen, Annika Lehmann, James C. Fettinger, Heikki M. Tuononen, Philip P. Power
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2020)
Article
Chemistry, Multidisciplinary
Braulio M. Puerta Lombardi, Chris Gendy, Benjamin S. Gelfand, Guy M. Bernard, Roderick E. Wasylishen, Heikki M. Tuononen, Roland Roesler
Summary: The nickel complex incorporating an N2O ligand with a rare eta(2)-N,N ' coordination mode was isolated and characterized. Computational studies showed that N2O binds slightly stronger to nickel than CO2 in this case, comparable to or slightly stronger than CO2 to transition metals in general. The limited stability of the N2O complex may be due to comparable transition-state energies for the formation of isomeric N,N' and N,O complexes, and a negligible activation barrier for the decomposition of the latter.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Joshua D. Queen, Sini Irvankoski, James C. Fettinger, Heikki M. Tuononen, Philip P. Power
Summary: This study identified the synthesis of aluminum imide and its crystal structure characteristics, revealing unique geometric and mechanical properties of the Al-N bond in aluminum imide. Through DFT calculations, energy decomposition analysis, and spectroscopic studies, a deeper understanding of the properties and interaction mechanisms of aluminum imide was achieved.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Multidisciplinary
Chris Gendy, J. Mikko Rautiainen, Aaron Mailman, Heikki M. Tuononen
Summary: Rare mononuclear and helical chain low-valent germanylidene anions, synthesized by stepwise reduction from corresponding germylene precursors, exhibit electronic structures describable with ylidene and ylidone resonance forms, and act as efficient single-site nucleophiles for activating small molecules.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Anni Taponen, Awatef Ayadi, Manu K. Lahtinen, Itziar Oyarzabal, Sebastien Bonhommeau, Mathieu Rouzieres, Corine Mathoniere, Heikki M. Tuononen, Rodolphe Clerac, Aaron Mailman
Summary: The co-crystallization of TCNQ-· and 3-MepyDTDA+· resulted in solvates with pi dimers at high temperatures and a transition to a diamagnetic phase at lower temperatures, showcasing cooperative interactions leading to magnetic bistability.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Multidisciplinary
Joschua Helmer, Olli J. Pakkanen, Chris Gendy, Alexander Hepp, Heikki M. Tuononen, Felicitas Lips
Summary: This study reveals a unique reaction cascade mechanism to synthesize a new silaheterocycle through reductive debromination, involving unprecedented two-fold intramolecular cycloaddition by transient silylenes. The key intermediates in the reaction mechanism were identified through experimental and computational analyses.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Hannu T. Vuori, J. Mikko Rautiainen, Erkki T. Kolehmainen, Heikki M. Tuononen
Summary: In this study, a high-level composite quantum chemical method was used to calculate the properties of organosilicon compounds. The results provide a new benchmark and assessment of experimental data, enabling the identification of trends and outliers.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Chemistry, Multidisciplinary
Anni Taponen, Awatef Ayadi, Noora Svahn, Manu K. Lahtinen, Mathieu Rouzieres, Rodolphe Clerac, Heikki M. Tuononen, Aaron Mailman
Summary: This research describes the synthesis, structure, thermal, and magnetic properties of a series of simple binary organic salts based on TCNQ and DTDA. The crystal structures, thermal behavior, and magnetic states are discussed in detail.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Multidisciplinary
Etienne A. LaPierre, Lara K. Watanabe, Brian O. Patrick, Jeremy M. Rawson, Heikki M. Tuononen, Ian Manners
Summary: In this study, the synthesis and properties of an acyclic carbene-stabilized diphospha(aminyl) PNP radical compound were reported. The radical compound exhibited a conjugated framework and showed facile one-electron oxidation and reduction to form nonclassical nitrenium and amide species. Additionally, the conformational flexibility of a cationic compound and the coordination chemistry of a formal amide were also explored.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Inorganic & Nuclear
Hannu T. Vuori, J. Mikko Rautiainen, Erkki T. Kolehmainen, Heikki M. Tuononen
Summary: This paper reports high-level computational data for 116 compounds of boron and compares them with experimental and computational benchmark values. Important trends and outliers are identified, and recommendations are made to revise some key quantities. The uncertainties associated with experimental values are found to exceed those of high-level calculations, prompting the need for a reevaluation of computational contributions. The applicability of the established group contribution values is demonstrated by comparing the results with existing experimental and computational values for large organoboron compounds.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Multidisciplinary
Braulio M. Puerta Lombardi, Ethan R. Pezoulas, Roope A. Suvinen, Alexander Harrison, Zachary S. Dubrawski, Benjamin S. Gelfand, Heikki M. Tuononen, Roland Roesler
Summary: Isomeric bis(aldiminium) salts with a 1,4-cyclohexylene framework were synthesized and their ditopic ligand competency was proven. The cis-isomer was shown to form an electron-rich olefin through a proton-catalyzed pathway, with a thermodynamically favorable C=C bond formation and a small activation barrier. Compounds that can be described as insertion products of the cis-isomer into E-H bonds of NH3, CH3CN, and H2O were also identified.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Kristian L. Mears, Cary R. Stennett, Elina K. Taskinen, Caroline E. Knapp, Claire J. Carmalt, Heikki M. Tuononen, Philip P. Power
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2020)
Article
Chemistry, Multidisciplinary
Christos P. Constantinides, Daniel B. Lawson, Georgia A. Zissimou, Andrey A. Berezin, Aaron Mailman, Maria Manoli, Andreas Kourtellaris, Gregory M. Leitus, Rodolphe Clerac, Heikki M. Tuononen, Panayiotis A. Koutentis
Article
Chemistry, Multidisciplinary
Zsolt Kelemen, Ariadna Pepiol, Marius Lupu, Reijo Sillanpaa, Mikko M. Hanninen, Francesc Teixidor, Clara Vinas
CHEMICAL COMMUNICATIONS
(2019)
