Results 21 to 30 of about 2,837 (184)
[O─I─O]+ Halogen‐Bonded Complexes of Pyridine N‐Oxides
Angewandte Chemie, EarlyView.The missing puzzle of 3‐center‐4‐electron halogen‐bonded complexes viz. [O─I─O]+ of pyridine N‐oxides are structurally characterized by x‐ray diffraction. Monodentate N‐oxide O‐atom acts as the halogen bond acceptor. Their solution complexations are characterized by 15N NMR spectroscopy.
Rakesh Puttreddy +3 more
wiley +2 more sources
Ambiphilic Ligand Stabilization of Aluminum(I) Fragments: Halides, Cations, and a Hydride
Angewandte Chemie, EarlyView.Stabilization of elusive aluminum(I) halides in the framework of an ambiphilic ligand is reported. The unique bonding situation at the trigonal‐bipyramidal aluminum center is analyzed, and the coordination chemistry and Al(I)Br transfer reactivity of the complexes are presented.
Charlotte S. V. Weiß +1 more
wiley +2 more sources
Chemical Physics Impact, 2023 Nitrogen and hydrogen binding in three types of Peters systems (borane, alkyl, and silyl) is investigated in this work. Peters systems are studied in the perspective of an environmentally friendly ammonia synthesis alternative to the Haber-Bosch process.
Andrej Hlinčík +2 more
doaj +1 more source
Crystals, 2020 The Zn(II) complex of salen-like scaffold [Zn(sal)](H2O) was synthesized and characterized by elemental analysis, IR, UV–Vis, and 1H-NMR spectroscopic techniques. The structure of complex was confirmed by single crystal X-ray diffraction studies.
Mohammad Usman +7 more
doaj +1 more source
Attractive Ni…O Interactions Enable Non‐Alternating Ethylene‐Carbon Monoxide Copolymerization
Angewandte Chemie, EarlyView.Attractive Ni···O interactions are established in phosphine‐imidated and phosphine‐phenolate nickel catalysts, enabling non‐alternating ethylene‐carbon monoxide copolymerization, resulting in superior CO tolerance, productivity and stability compared to the state‐of‐the‐art benchmark.
Yajun Zhao +5 more
wiley +2 more sources
QTAIM based descriptors for the classification of acrylates
Theoretical Chemistry Accounts, 2023 AbstractAcrylates are used in cosmetics, orthopedics, paints, coatings, adhesives, textiles, and biomedical applications such as contact lenses and bone cements. However, some acrylates are mutagenic and the aim of this article is to explain the mutagenicity in terms of the atomic population redistribution in the molecule using two new descriptors ...
David A. Rincón +3 more
openaire +1 more source
Nucleophilic Gallyl Anions Enable Ga─Au Bimetallic Ammonia Activation
Angewandte Chemie, EarlyView.Unlocking gallyl nucleophiles: Counterion control enables formation of an unsupported gallyl─gold complex. Gold coordination induces a polarity switch at gallium, enabling cooperative activation of NH3 and related N─H/O─H substrates under mild conditions.
Hellen Videa +3 more
wiley +2 more sources
Theoretical Study of Heteroatom Resonance-Assisted Hydrogen Bond: Effect of Substituent on π-delocalization [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2010 The concept of Resonance Assisted Hydrogen Bond (RAHB), which usually occurs in b diketons, has a remarkable role in chemistry. These molecules, which contain heteroatom particularly O and N, are species with biological interest in protein folding and ...
Ali Heydar Pakiari, Maryam Farrokhnia
doaj
Halogen and Hydrogen Bonding in Halogenabenzene/NH3 Complexes Compared Using Next-Generation QTAIM
Molecules, 2019 Next-generation quantum theory of atoms in molecules (QTAIM) was used to investigate the competition between hydrogen bonding and halogen bonding for the recently proposed (Y = Br, I, At)/halogenabenzene/NH3 complex. Differences between using the SR-ZORA
Shuman Li +5 more
doaj +1 more source
Molecules, 2021 X-ray structural determinations and computational studies were used to investigate halogen interactions in two halogenated oxindoles. Comparative analyses of the interaction energy and the interaction properties were carried out for Br···Br, C-H···Br, C ...
Rodrigo A. Lemos Silva +4 more
doaj +1 more source