Unidentical Twins: Geometrically Similar but Chemically Distinct Metal-free Sites in Boron Oxide for Methane Oxidation to HCHO, CO and CO2
Chemistry. 2024 Apr 12:e202401050. doi: 10.1002/chem.202401050. Online ahead of print.ABSTRACTMetal-free boron-based catalysts such as boron oxide (B2O3) and boron nitride (h-BN) are promising catalysts for the methane oxidation to HCHO and CO. The B2O3 catalyst contains various probable boron sites (B1 to B6), which may be responsible for methane oxidation. In this work, we utilized density functional theory to compare two relevant geometrically identical boron sites (B2 and B4) for their reactivities. The two sites are explored in-detail for the conversion of methane to formaldehyde (M2F), carbon monoxide and carbon diox...
Source: Chemistry - April 12, 2024 Category: Chemistry Authors: Parveen Rawal Puneet Gupta Source Type: research
Silver(i) Perfluoroalcoholates: Synthesis, Structure, and their Use as Transfer Reagents
Chemistry. 2024 Apr 12:e202400861. doi: 10.1002/chem.202400861. Online ahead of print.ABSTRACTHerein we report a general access to silver(i) perfluoroalcoholates, their structure in the solid state and in solution, and their use as transfer reagents. The silver(i) perfluoroalcoholates are prepared by the reaction of AgF with the corresponding perfluorinated carbonyl compounds in acetonitrile and are stable for a prolonged time at -18 °C. X-Ray analysis of single crystals of perfluoroalcoholate species showed that two Ag(i) centers are bridged by the alcoholate ligands. In acetonitrile solution, Ag[OCF3] forms different st...
Source: Chemistry - April 12, 2024 Category: Chemistry Authors: Paul Golz Kamar Shakeri Lilian Maas Marius Balizs Alberto P érez-Bitrián Helen D Kemmler Merlin Kleoff Patrick Vo ßnacker Mathias Christmann Sebastian Hasenstab-Riedel Source Type: research
Continuous Synthesis of a Macrocyclic Sulfite of Polyethylene Glycol by Cascaded Continuous Stirred Tank Reactors (CSTRs)
Chemistry. 2024 Apr 12:e202401026. doi: 10.1002/chem.202401026. Online ahead of print.ABSTRACTInvited for the cover of this issue is the group of Long Pan and co-workers at Asymchem Life Sciences (Tianjin) Co. Ltd. The image depicts a novel continuous process for the synthesis of a macrocyclic poly(ethylene glycol) (PEG) sulfite, the precursor to PEG macrocyclic sulfate, a useful building block in PEG chemistry. Read the full text of the article at 10.1002/chem.202304319.PMID:38607283 | DOI:10.1002/chem.202401026 (Source: Chemistry)
Source: Chemistry - April 12, 2024 Category: Chemistry Authors: Jichang Wei Yinli Liu Yuchen Sun Jun Bai He Gao Zhaojun Yang Long Pan Source Type: research
Trapping an Elusive Phosphanyl-Phosphaalumene
We describe our attempts to access a compound with an Al=P double bond by reaction of Al(Nacnac) towards [H2CN(Dipp)]2PPCO (Nacnac = HC[C(Me)N(Dipp)]2; Dipp = 2,6-iPr2C6H3). Our observations are consistent with the formation of a transient phosphanyl-phosphaalumene at low temperatures (-70 °C), however this species was found to readily undergo intramolecular C-H activation of the β-diketiminato ligand upon warming to room temperature. The reactivity of the transient complex toward small molecules including dihydrogen, carbon dioxide, phosphaketenes, amines and silanes could be explored at low temperatures, showcasing tha...
Source: Chemistry - April 12, 2024 Category: Chemistry Authors: Lilian S Szych Lars Denker Joey Feld Jose Goicoechea Source Type: research
Formation, Selective Encapsulation, and Tautomerization Control of Isoindoleone Utilizing Guanidinium Sulfonate Framework
Chemistry. 2024 Apr 12:e202400957. doi: 10.1002/chem.202400957. Online ahead of print.ABSTRACTHerein we report the use of tetrakis(guanidinium) pyrenetetrasulfonate (G4PYR) and bis(guanidinium) 1,5-napthalene disulfonate (G2NDS) to catalyze the cyclization of 2-cyanobenzamide (1) to isoindolone (2). Moreover, we demonstrate the remarkable selectivity of these guanidinium organosulfonate hosts in encapsulating 2 over 1. By thoroughly investigating the intramolecular cyclization reaction, we determined that guanidinium and the organosulfonate moiety acts as the catalyst in this process. Additionally, 2 is selectively encapsu...
Source: Chemistry - April 12, 2024 Category: Chemistry Authors: Mohammad T Chaudhry Justin A Newman Alfred Y Lee Source Type: research
Smartphone-Based Sensing of Cortisol by Functionalized Rhodamine Probes
Chemistry. 2024 Apr 10:e202401201. doi: 10.1002/chem.202401201. Online ahead of print.ABSTRACTDuring a stress condition, the human body synthesizes catecholamine neurotransmitters and specific hormones (called "stress hormones"), the most important of which is cortisol. The monitoring of cortisol levels should be extremely important to control the stress levels, and for this reason, it shows important medical applications. The common analytical methods (HPLC, GC-MS) cannot be used in real life, due to the bulky size of the instruments and the necessity of specialized personnel. Molecular probes solve these problems due to ...
Source: Chemistry - April 11, 2024 Category: Chemistry Authors: Rossella Santonocito Alessia Cavallaro Roberta Puglisi Andrea Pappalardo Nunzio Tuccitto Manuel Petroselli Giuseppe Trusso Sfrazzetto Source Type: research
Theoretical Study of the Ternary Compound Monolayer CuP2Se for Photocatalytic Water Splitting with Efficient Optical Absorption
Chemistry. 2024 Apr 11:e202400348. doi: 10.1002/chem.202400348. Online ahead of print.ABSTRACTUtilizing photocatalytic method to produce hydrogen by splitting water is an efficient strategy to solve the hotspot issues of energy crisis and environmental pollution. Herein, we systematically investigate the corresponding properties of the reported Cu-bearing ternary compound monolayer CuP2Se by using the first-principle calculations. The monolayer CuP2Se has quite small cleavage energy of 0.51 J/m2, indicating it can be easily produced by the mechanical exfoliation method experimentally. In addition, it is an indirect bandgap...
Source: Chemistry - April 11, 2024 Category: Chemistry Authors: Xiaole Qiu Xiaoxuan Wang Xiaolu Liu Saifei Yuan Kai Han Hongchao Yang Source Type: research
Elucidating the Binding Mode of Sulfur- and Selenium-Based Cationic Chalcogen-Bond Donors
Chemistry. 2024 Apr 11:e202400608. doi: 10.1002/chem.202400608. Online ahead of print.ABSTRACTFor a comparison of the interaction modes of various chalcogen-bond donors, 2-chalcogeno-imidazolium salts have been designed, synthesized, and studied by single crystal X-ray diffraction, solution NMR and DFT as well as for their ability to act as activators in an SN1-type substitution reaction. Their interaction modes in solution were elucidated based on NMR diffusion and chemical shift perturbation experiments, which were supported by DFT-calculations. Our finding is that going from lighter to the heavier chalcogens, hydrogen b...
Source: Chemistry - April 11, 2024 Category: Chemistry Authors: Sercan Akbaba Tim Steinke Lukas Vogel Elric Engelage Mate Erdelyi Stefan Matthias Huber Source Type: research
Smartphone-Based Sensing of Cortisol by Functionalized Rhodamine Probes
Chemistry. 2024 Apr 10:e202401201. doi: 10.1002/chem.202401201. Online ahead of print.ABSTRACTDuring a stress condition, the human body synthesizes catecholamine neurotransmitters and specific hormones (called "stress hormones"), the most important of which is cortisol. The monitoring of cortisol levels should be extremely important to control the stress levels, and for this reason, it shows important medical applications. The common analytical methods (HPLC, GC-MS) cannot be used in real life, due to the bulky size of the instruments and the necessity of specialized personnel. Molecular probes solve these problems due to ...
Source: Chemistry - April 11, 2024 Category: Chemistry Authors: Rossella Santonocito Alessia Cavallaro Roberta Puglisi Andrea Pappalardo Nunzio Tuccitto Manuel Petroselli Giuseppe Trusso Sfrazzetto Source Type: research
Theoretical Study of the Ternary Compound Monolayer CuP2Se for Photocatalytic Water Splitting with Efficient Optical Absorption
Chemistry. 2024 Apr 11:e202400348. doi: 10.1002/chem.202400348. Online ahead of print.ABSTRACTUtilizing photocatalytic method to produce hydrogen by splitting water is an efficient strategy to solve the hotspot issues of energy crisis and environmental pollution. Herein, we systematically investigate the corresponding properties of the reported Cu-bearing ternary compound monolayer CuP2Se by using the first-principle calculations. The monolayer CuP2Se has quite small cleavage energy of 0.51 J/m2, indicating it can be easily produced by the mechanical exfoliation method experimentally. In addition, it is an indirect bandgap...
Source: Chemistry - April 11, 2024 Category: Chemistry Authors: Xiaole Qiu Xiaoxuan Wang Xiaolu Liu Saifei Yuan Kai Han Hongchao Yang Source Type: research
Combined Covalent and Supramolecular Polymerization To Reinforce Perylenebisimide Photosynthetic "Quantasomes"
Chemistry. 2024 Apr 10:e202401061. doi: 10.1002/chem.202401061. Online ahead of print.ABSTRACTInvited for the cover of this issue are the groups of Marcella Bonchio at the University of Padova and Jérôme Canivet at the CNRS-University of Lyon. The image depicts the hierarchical self-organization of bio-inspired quantasomes, crosslinked within a polystyrene network to enchain their lateral and orthogonal proximity for long-lasting oxygen evolution using green photons. Read the full text of the article at 10.1002/chem.202303784.PMID:38595065 | DOI:10.1002/chem.202401061 (Source: Chemistry)
Source: Chemistry - April 10, 2024 Category: Chemistry Authors: Alisa Ranscht Francesco Rigodanza Thomas Gobbato Ilaria Crea Elsje Alessandra Quadrelli Jerome Canivet Marcella Bonchio Source Type: research
Chemoselective Post-Synthesis Modification of Pyridyl-Substituted, Aromatic Phosphorus Heterocycles: Cationic Ligands for Coordination Chemistry
Chemistry. 2024 Apr 10:e202400592. doi: 10.1002/chem.202400592. Online ahead of print.ABSTRACTTriazaphospholes are potential polydentate ligands due to the presence of both phosphorus and nitrogen donor atoms within the aromatic 5-membered heterocycle. The incorporation of an additional pyridyl-substituent opens up the possibility of a post-synthesis modification via chemoselective and also stepwise alkylation exclusively of the nitrogen atoms. This can be controlled by the choice and by the stoichiometry of the electrophile and allows the targeted synthesis of a variety of novel mono- and dicationic ligands. Reaction with...
Source: Chemistry - April 10, 2024 Category: Chemistry Authors: Lea Dettling Martin Papke Moritz Ernst Manuela Weber Christian M üller Source Type: research
Improving the Stability and Kinetic Inertness of Mn(II) Complexes by Increasing the Bridge Length in Bicyclic CDTA-like Ligands
Chemistry. 2024 Apr 10:e202400570. doi: 10.1002/chem.202400570. Online ahead of print.ABSTRACTKinetic inertness of Mn(II)-based MRI contrast agents can be improved by increasing the rigidity of the polydentate ligand that tightly coordinate the metal ion. Taking inspiration from the remarkable increase in kinetic inertness of [Mn(CDTA)]2- compared to [Mn(EDTA)]2- due to the cyclohexyl backbone rigidity, we devised that bicyclic ligands would further improve the kinetic inertness of the Mn(II) complexes. The length of the alkyl bridge on the cyclohexane ring was varied from methylene (BCH-DTA), ethylene (BCO-DTA) to propyle...
Source: Chemistry - April 10, 2024 Category: Chemistry Authors: Jonathan Martinelli Elisabetta Romano Attila Laczovics David Horv áth Elena Grattoni Zsolt Baranyai Lorenzo Tei Source Type: research
Host-Guest Stimuli-Responsive Click Chemistry
Chemistry. 2024 Apr 10:e202400743. doi: 10.1002/chem.202400743. Online ahead of print.ABSTRACTClick chemistry has reached its maturity as the weapon of choice for the irreversible ligation of molecular fragments, with over 20 years of research resulting in the development or improvement of highly efficient kinetically controlled conjugation reactions. Nevertheless, traditional click reactions can be disadvantageous not only in terms of efficiency (side products, slow kinetics, air/water tolerance, etc.), but also because they completely avoid the possibility to reversibly produce and control bound/unbound states. Recently,...
Source: Chemistry - April 10, 2024 Category: Chemistry Authors: Arturo Blanco-G ómez Mauro D íaz-Abellás Iv án Montes de Oca Carlos Peinador Elena Pazos Marcos D Garc ía Source Type: research
On the Synthesis and Structure of 'Naked' Ga(I) and In(I) Salts and the Surprising Stability of Simple Ga(I) and In(I) Salts in the Coordinating Solvents Ether and Acetonitrile
Chemistry. 2024 Apr 10:e202400897. doi: 10.1002/chem.202400897. Online ahead of print.ABSTRACTIn this work, we present the solid-state structures of solvent-free Ga[pf] and In[pf] salts ([pf]- = [Al(ORF)4]-; RF = C(CF3)3), which are very rare examples of salts with truly 'naked' metal cations. Both salts may serve as starting materials for subvalent gallium and indium chemistry with very weakly coordinating ligands providing the freedom of choice for solvents and ligands for the future. On the other hand, we report and rationalize the formation and isolation of [M(OEt2)2][pf] and [M(MeCN)2][pf] (M = Ga, In), underlining th...
Source: Chemistry - April 10, 2024 Category: Chemistry Authors: Antoine Barth élemy Harald Scherer Hanna Weller Ingo Krossing Source Type: research
