Anion‐π Interaction for Molecular Recognition of Anions: Focus on Cooperativity with Hydrogen Bonding

R Plais, G Clavier, J Salpin… - European Journal of …, 2023 - Wiley Online Library
Anion recognition represents an active area of research in supramolecular chemistry. The
last two decades have been marked by spectacular advances in the design of new anion …

New Polyether Macrocycles as Promising Antitumor Agents─ Targeted Synthesis and Induction of Mitochondrial Apoptosis

II Islamov, LU Dzhemileva, IV Gaisin, UM Dzhemilev… - ACS …, 2024 - ACS Publications
A series of previously unknown aromatic polyether macrodiolides containing a cis, cis-1, 5-
diene moiety in the molecule were synthesized in 47–74% yields. Macrocycle compounds …

Exploring the Nature of Anion− π Interactions: Complexes of π-Acceptors with Fluoro-or Oxoanions Compared to the Associations with Halides

FE Odubo, M Zeller, SV Rosokha - The Journal of Physical …, 2023 - ACS Publications
The variations in the nature and properties of the anion− π complexes with different types of
anions are identified via experimental (UV–vis and X-ray crystallographic) measurements …

Anion recognition using enhanced halogen bonding through intramolecular hydrogen bonds–a computational insight

RP Orenha, SSP Furtado, GF Caramori… - New Journal of …, 2023 - pubs.rsc.org
Anions are associated with several biological processes in nature and act as catalysts in
chemical and fuel production. Non-covalent interactions are useful tools for driving …

Tracing the transition from covalent to non-covalent functionalization of pyrene through C-, N-, and O-based ionic and radical substrates using quantum mechanical …

A Pandey, N Kumar - RSC advances, 2023 - pubs.rsc.org
Pyrene is one of the widely investigated aromatic hydrocarbons given its unique optical and
electronic properties. Modulating inherent characteristics of pyrene via covalent or non …

Nature of Cation‐π Interaction in Mono‐ and Inverted Sandwich Ga(I) Complexes. Insights Into the Ga(I)‐π Features and NMR Patterns from GaCp, GaCp*, [Ga2Cp]+, and [Ga2 …

R Guajardo‐Maturana… - European Journal of …, 2024 - Wiley Online Library
Cation‐π interactions involve different metallic cations, where the bonding characteristics
depend on the involved species. Here, we unravel the interaction nature features for Ga (I) …

Supramolecular Chemistry: Exploring the Use of Electronic Structure, Molecular Dynamics, and Machine Learning Approaches

MC Colaço, VA Glitz, AK Jacobs… - European Journal of …, 2024 - Wiley Online Library
This review aims to highlight the role that computational chemistry has played in advancing
the supramolecular chemistry field. We demonstrated recent uses of computational …

A general tight-binding based energy decomposition analysis scheme for intermolecular interactions in large molecules

Y Xu, S Zhang, E Lindahl, R Friedman… - The Journal of Chemical …, 2022 - pubs.aip.org
In this work, a general tight-binding based energy decomposition analysis (EDA) scheme for
intermolecular interactions is proposed. Different from the earlier version [Xu et al., J. Chem …

Anion Encapsulation with Micromolar Affinity on [Pd2L4]4+ Receptor Cage. Nature of Anion-Receptor Interaction and 1H NMR Parameters from Dispersion …

C Muñoz Zuñiga, VC Port, C Olea Ulloa… - The Journal of …, 2024 - ACS Publications
Anion recognition, leading to encapsulated species, remains a relevant issue in
supramolecular chemistry. The recent characterization of [Pd2L4] 4+ with L= 1, 3-di (pyridine …

On the halide aggregation into the [Au 4 (PPh 3) 4] 4+ cluster core. Insights from structural, optical and interaction energy analysis in [(Ph 3 PAu) 4 X 2] 2+ and [(Ph 3 …

R Guajardo-Maturana, PL Rodríguez-Kessler… - Physical Chemistry …, 2024 - pubs.rsc.org
The aggregation of halide atoms into gold clusters offers an interesting scenario for the
development of novel metal-based cavities for anion recognition and sensing applications …