Anomeric effect, hyperconjugation and electrostatics: Lessons from complexity in a classic stereoelectronic phenomenon

IV Alabugin, L Kuhn, NV Krivoshchapov… - Chemical Society …, 2021 - pubs.rsc.org
Understanding the interplay of multiple components (steric, electrostatic, stereoelectronic,
dispersive, etc.) that define the overall energy, structure, and reactivity of organic molecules …

Conjugated nitroxides

EV Tretyakov, VI Ovcharenko… - Russian Chemical …, 2022 - iopscience.iop.org
In recent years, research dealing with organic paramagnetic compounds such as stable
radicals and high-spin systems has been focused on applied aspects. Several key trends …

Perfluorocycloparaphenylenes

H Shudo, M Kuwayama, M Shimasaki… - Nature …, 2022 - nature.com
Perfluorinated aromatic compounds, the so-called perfluoroarenes, are widely used in
materials science owing to their high electron affinity and characteristic intermolecular …

Access to molecular complexity. Multicomponent reactions involving five or more components

VG Nenajdenko - Russian Chemical Reviews, 2020 - iopscience.iop.org
The evaluation of the significance of a chemical transformation addresses many factors,
including such important characteristics as the number of chemical bonds formed in one …

Multicomponent reactions of ethyl trifluoroacetoacetate with carbonyl and nucleophilic reagents as a promising tool for organic synthesis

SO Kushch, MV Goryaeva, YV Burgart… - Russian Chemical …, 2023 - Springer
The review is summarized and systematized the published data on the multicomponent
reactions of ethyl trifluoroacetoacetate, carbonyl compounds (aldehydes and ketones), and …

Copper-mediated oxidative [3+ 2]-annulation of nitroalkenes and pyridinium imines: efficient synthesis of 3-fluoro-and 3-nitro-pyrazolo [1, 5-a] pyridines

VA Motornov, AA Tabolin, YV Nelyubina… - Organic & …, 2020 - pubs.rsc.org
An efficient route to pyrazolo [1, 5-a] pyridines by Cu (OAc) 2-promoted oxidative [3+ 2]-
annulation of nitroalkenes with in situ generated pyridinium imines is developed. The …

On the Unexpected Accuracy of the M06L Functional in the Calculation of 1JFC Spin–Spin Coupling Constants

M Giovanetti, LFF Bitencourt… - Journal of Chemical …, 2021 - ACS Publications
One-bond spin–spin coupling constants (SSCCs) between F and C are computed with
density functional theory (DFT). Surprisingly, M06L stands out for its striking accuracy …

Advances in Catalytic C–F Bond Activation and Transformation of Aromatic Fluorides

R Ma, H Hu, X Li, G Mao, Y Song, S Xin - Catalysts, 2022 - mdpi.com
The activation and transformation of C–F bonds in fluoro-aromatics is a highly desirable
process in organic chemistry. It provides synthetic methods/protocols for the generation of …

Computational aspects of 19F NMR

LB Krivdin - Russian Chemical Reviews, 2020 - iopscience.iop.org
This review covers most recent advances in computation of 19 F NMR chemical shifts and
spin–spin coupling constants involving 19 F nucleus calculated at different levels of theory. It …

Polyfluorinated organic paramagnets

EV Tretyakov, PA Fedyushin - Russian Chemical Bulletin, 2021 - Springer
Polyfluorinated organic paramagnets* Page 1 Russian Chemical Bulletin, International Edition,
Vol. 70, No. 12, pp. 2298—2314, December, 2021 2298 Published in Russian in Izvestiya …