A model nucleophilic-displacement reaction coordinate at pentacoordinate silicon is demonstrated by neutral and ionic dissociation equilibria through a stable hexacoordinate complex.

Download full-text PDF

Source
http://dx.doi.org/10.1039/b404157gDOI Listing

Publication Analysis

Top Keywords

neutral ionic
8
ionic dissociation
8
pentacoordinate silicon
8
dissociation patterns
4
patterns hexacoordinate
4
hexacoordinate silicon
4
silicon chelates
4
chelates model
4
model nucleophilic
4
nucleophilic substitution
4

Similar Publications

This article investigates the influence of dopant molecules on the structural and dynamic properties of lipid bilayers in liposomes, with a focus on the effects of dopant concentration, size, and introduced electric charge. Experimental studies were performed using electron paramagnetic resonance (EPR) spectroscopy with spin probes, complemented by Monte Carlo simulations. Liposomes, formed via lecithin sonication, were doped with compounds of varying concentrations and analyzed using EPR spectroscopy to assess changes in membrane rigidity.

View Article and Find Full Text PDF

Biological peptides have emerged as promising candidates for data storage applications due to their versatility and programmability. Recent advances in peptide synthesis and sequencing technologies have enabled the development of peptide-based data storage systems for realizing novel information storage technologies with enhanced capacity, durability, and data access speeds. In this study, we performed coarse-grained peptide sequencing of 12 distinct sequences through single-layer MoS solid-state nanopores (SSNs) using molecular dynamics (MD).

View Article and Find Full Text PDF

Fermi Polaron in Atom-Ion Hybrid Systems.

Phys Rev Lett

December 2024

Dipartimento di Fisica, Università di Trieste, Strada Costiera 11, I-34151 Trieste, Italy.

Atom-ion hybrid systems are promising platforms for the quantum simulation of polaron physics in certain quantum materials. Here, we investigate the ionic Fermi polaron, a charged impurity in a polarized Fermi bath, at zero temperature using quantum Monte Carlo techniques. We compute the energy spectrum, residue, effective mass, and structural properties.

View Article and Find Full Text PDF

Iron as a Sulfidation-Resistant Current Collector for Negative Electrode in Sulfide-Based All-Solid-Batteries.

Small

December 2024

LiB Materials Research Group, Research Institute of Industrial Technology and Science (RIST), POSCO Global R and D Center, Sondohwahak-ro 100, Yeonsu-gu, Incheon, 21985, Republic of Korea.

The demand for all-solid-state batteries (ASSBs) featuring credible LiPSCl argyrodite (LPSCl) electrolytes is increasing, driving interest in exploring suitable current collectors for ASSBs. Copper (Cu), used as a current collector in traditional lithium-ion batteries, exhibits significant instability in LPSCl-ASSBs. In this study, the effectiveness of iron (Fe) is systematically investigated as an alternative current collector in LPSCl-ASSBs and compare its performance to that of Cu.

View Article and Find Full Text PDF

Polymer Sorbent Design for the Direct Air Capture of CO.

ACS Appl Polym Mater

December 2024

School of Polymer Science and Engineering, The University of Southern Mississippi, Hattiesburg, Mississippi 39406, United States.

Anthropogenic activities have resulted in enormous increases in atmospheric CO concentrations particularly since the onset of the Industrial Revolution, which have potential links with increased global temperatures, rising sea levels, increased prevalence, and severity of natural disasters, among other consequences. To enable a carbon-neutral and sustainable society, various technologies have been developed for CO capture from industrial process streams as well as directly from air. Here, direct air capture (DAC) represents an essential need for reducing CO concentration in the atmosphere to mitigate the negative consequences of greenhouse effects, involving systems that can reversibly adsorb and release CO, in which polymers have played an integral role.

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!