Wyświetlanie pozycji 1-10 z 10

    • Aromaticity: Quo Vadis 

      Merino, Gabriel; Solà, Miquel; Fernández, Israel; Foroutan-Nejad, Cina; Lazzeretti, Paolo; Frenking, Gernot; Anderson, Harry L.; Sundholm, Dage; Cossío, Fernando P.; Petrukhina, Marina A.; Wu, Jishan; Wu, Judy I.; Restrepo, Albeiro (Royal Society of Chemistry, 2023)
      Aromaticity is one of the most deeply rooted concepts in chemistry. But why, if two-thirds of existing compounds can be classified as aromatic, is there no consensus on what aromaticity is? σ−, π−, δ−, spherical, Möbius, ...
    • Collective interactions among organometallics are exotic bonds hidden on lab shelves 

      Sowlati-Hashjin, Shahin; Šadek, Vojtěch; Abdolreza Sadjadi, Seyed; Karttunen, Mikko; Martín-Pendás, Angel; Foroutan-Nejad, Cina (Springer Nature, 2022-04-19)
      Recent discovery of an unusual bond between Na and B in NaBH3− motivated us to look for potentially similar bonds, which remained unnoticed among systems isoelectronic with NaBH3−. Here, we report a novel family of collective ...
    • Magnetic Antiaromaticity─Paratropicity─Does Not Necessarily Imply Instability 

      Foroutan-Nejad, Cina (ACS Publications, 2023)
      Magnetically induced ring currents are a conventional tool for the characterization of aromaticity. Dia- and paratropic currents are thought to be associated with stabilization (aromaticity) and destabilization (antiaromaticity), ...
    • On-Surface Azide–Alkyne Cycloaddition Reaction: Does It Click with Ruthenium Catalysts? 

      Li, Tiexin; Dief, Essam M.; Kalužná, Zlatica; MacGregor, Melanie; Foroutan-Nejad, Cina; Darwish, Nadim (American Chemical Society, 2022)
      Owing to its simplicity, selectivity, high yield, and the absence of byproducts, the “click” azide–alkyne reaction is widely used in many areas. The reaction is usually catalyzed by copper(I), which selectively produces ...
    • Path-dependency of energy decomposition analysis & the elusive nature of bonding 

      Poater, Jordi; Andrada, Diego M.; Solà, Miquel; Foroutan-Nejad, Cina (Royal Society of Chemistry, 2022)
      Here, we provide evidence of the path-dependency of the energy components of the energy decomposition analysis scheme, EDA, by studying a set of thirty-one closed-shell model systems with the D2h symmetry point group. For ...
    • A quest for ideal electric field-driven MX@C70 endohedral fullerene memristors: which MX fits the best? 

      Tuckova, Lucie; Jaros, Adam; Foroutan-Nejad, Cina; Straka, Michal (Royal Society of Chemistry, 2023)
      Endohedral fullerenes with a dipolar molecule enclosed in the fullerene cage have great potential in molecular electronics, such as diodes, switches, or molecular memristors. Here, we study a series of model systems based ...
    • Reductive Elimination from Sterically Encumbered Ni−Polypyridine Complexes 

      Day, Craig S.; Ton, Stephanie J.; McGuire, Ryan T.; Foroutan-Nejad, Cina; Martin, Ruben (American Chemical Society, 2022)
      Herein we disclose the synthesis of sterically encumbered dialkylnickel(II) complexes bearing 2,9-dimethyl-1,10-phenanthroline ligands. A comparison with their unsubstituted analogues by both X-ray crystallography and ...
    • Reply to: On the existence of collective interactions reinforcing the metal-ligand bond in organometallic compounds 

      Šadek, Vojtech; Sowlati-Hashjin, Shahin; Sadjadi, Seyed Abdolreza; Karttunen, Mikko; Martín-Pendás, Angel; Foroutan-Nejad, Cina (Nature Research, 2023)
      replying to J. Poater et al. Nature Communications https://doi.org/10.1038/s41467-023-39498-y (2023)
    • Room-Temperature-Stable Magnesium Electride via Ni(II) Reduction 

      Day, Craig S.; Do, Cuong Dat; Odena, Carlota; Benet-Buchholz, Jordi; Xu, Liang; Foroutan-Nejad, Cina; Hopmann, Kathrin H.; Martin, Ruben (American Chemical Society, 2022)
      Herein, we report the synthesis of highly reduced bipyridyl magnesium complexes and the first example of a stable organic magnesium electride supported by quantum mechanical computations and X-ray diffraction. These complexes ...
    • Spinristor: A Spin-Filtering Memristor 

      Jaroš, Adam; Sasar, Mahdi; Tučková, Lucie; Farajpour Bonab, Esmaeil; Badri, Zahra; Straka, Michal; Foroutan-Nejad, Cina (Wiley, 2023)
      In this paper, an in silico proof of concept of a spinristor is proposed and provided; a new electronic component that combines a spin-filter and a memristor in a single molecule, useful for in-memory processing. It builds ...