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Anion‐π Interaction for Molecular Recognition of Anions: Focus on Cooperativity with Hydrogen Bonding
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 …
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
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 …
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
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 …
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
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 …
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 …
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 …
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) …
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
This review aims to highlight the role that computational chemistry has played in advancing
the supramolecular chemistry field. We demonstrated recent uses of computational …
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 …
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 …
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 …
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 …
development of novel metal-based cavities for anion recognition and sensing applications …