Non-conventional hydrogen bonding and dispersion forces that support embedding mesitylgold into a tailored bis(amidine) framework.

Chem Commun (Camb)

Department of Chemistry and Biochemistry, Kennesaw State University, 370 Paulding Avenue, MD 1203, Kennesaw, Georgia 30144, USA.

Published: January 2022

A bis(amidine) ligand operates as a molecular lock for two AuMes fragments. The resulting complex retains a flexible double macrocycle with two non-conventional N-H⋯C hydrogen bonds and distinct intramolecular dispersion forces. Instead of unfolding of the double-ring structure through bond rupture in solution, a conformational ring inversion is observed.

Download full-text PDF

Source
http://dx.doi.org/10.1039/d1cc06065aDOI Listing

Publication Analysis

Top Keywords

dispersion forces
8
non-conventional hydrogen
4
hydrogen bonding
4
bonding dispersion
4
forces support
4
support embedding
4
embedding mesitylgold
4
mesitylgold tailored
4
tailored bisamidine
4
bisamidine framework
4

Similar Publications

Sc-doped GeTe thin films prepared by radio-frequency magnetron sputtering.

Sci Rep

January 2025

Department of Graphic Arts and Photophysics, Faculty of Chemical Technology, University of Pardubice, Studentská 573, Pardubice, 532 10, Czech Republic.

Radio frequency magnetron co-sputtering method employing GeTe and Sc targets was exploited for the deposition of Sc doped GeTe thin films. Different characterization techniques (scanning electron microscopy with energy-dispersive X-ray analysis, X-ray diffraction, atomic force microscopy, sheet resistance temperature-dependent measurements, variable angle spectroscopic ellipsometry, and laser ablation time-of-flight mass spectrometry) were used to evaluate the properties of as-deposited (amorphous) and annealed (crystalline) Ge-Te-Sc thin films. Prepared amorphous thin films have GeTe, GeTeSc, GeTeSc, GeTeSc and GeTeSc chemical composition.

View Article and Find Full Text PDF

Identifying transitional states is crucial for understanding protein conformational changes that underlie numerous biological processes. Markov state models (MSMs), built from Molecular Dynamics (MD) simulations, capture these dynamics through transitions among metastable conformational states, and have demonstrated success in studying protein conformational changes. However, MSMs face challenges in identifying transition states, as they partition MD conformations into discrete metastable states (or free energy minima), lacking description of transition states located at the free energy barriers.

View Article and Find Full Text PDF

Description of changes in chemical bonding along the pathways of chemical reactions by deformation of the molecular electrostatic potential.

J Mol Model

January 2025

Department of Theoretical Chemistry, Faculty of Chemistry, Jagiellonian University, Gronostajowa 2, 30-387, Krakow, Poland.

Context: The analysis of the changes in the electronic structure along intrinsic reaction coordinate (IRC) paths for model reactions: (i) ethylene + butadiene cycloaddition, (ii) prototype SN2 reaction Cl + CH3Cl, (iii) HCN/CNH isomerization assisted by water, (iv) CO + HF → C(O)HF was performed, in terms of changes in the deformation density (Δr) and the deformation of MEP (ΔMEP). The main goal was to further examine the utility of the ΔMEP as a descriptor of chemical bonding, and to compare the pictures resulting from Δr and ΔMEP. Both approaches clearly show that the main changes in the electronic structure occur in the TS region.

View Article and Find Full Text PDF

This study focuses on the fabrication and characterisation of single-walled carbon nanotube (SWCNT) buckypapers and polyethersulfone (PES) flat-sheet membranes using Cyrene, aiming toevaluate its efficacy as a green solvent for these applications. Pristine SWCNTs were dispersed inCyrene without surfactants and compared to N-Methyl-2-pyrrolidone (NMP) dispersions. Buckypapers were fabricated from these dispersions and characterised using Scanning ElectronMicroscopy (SEM), Atomic Force Microscopy (AFM), and infrared spectroscopy.

View Article and Find Full Text PDF

High temperature QDs organization and re-crystallization in glass supported MgO QDs doped PMMA film.

Sci Rep

January 2025

Condensed Matter Physics & Nanoscience Research Laboratory, Department of Physics and Material Science, Madan Mohan Malaviya University of Technology, Gorakhpur, 273010, U.P, India.

Article Synopsis
  • The study focuses on creating composite films of poly (methylmethacrylate) (PMMA) blended with magnesium oxide quantum dots (MgO QDs) at varying concentrations, and the films were annealed at 130°C for different durations to observe changes in their properties.
  • Analysis revealed that the initial crystallinity of the PMMA films decreased with annealing but slightly improved with the diffusion and coalescence of MgO QDs, leading to the formation of larger clusters that influenced the films' structural properties.
  • The research highlights the significance of temperature and molecular forces in the evolution of the film's morphology and stability, demonstrating unique energy dissipation mechanisms and the complex interplay of inter- and intra
View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!