The intra- and intermolecular chemistry of phenylnitrene (PhN), its singlet-triplet energy separation, and its electronic spectra are interpreted with the aid of ab initio molecular orbital theory. The key to understanding singlet PhN is the recognition that this species has an open-shell electronic structure, in contrast to the related species, phenylcarbene, which has a closed-shell electronic structure. The thermodynamics of nitrenes, benzazirines, dehydroazepines, aminyl radicals, and their hydrocarbon analogues are also discussed.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1021/ar990030a | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Gene expression and mucilage adaptations to salinity in germination of extreme halophyte Schrenkiella parvula seeds.
Plant Physiol Biochem
January 2025
Department of Biology, Faculty of Science, Ege University, Izmir, Türkiye. Electronic address:
Salinization is a significant global issue causes irreversible damage to plants by reducing osmotic potential, inhibiting seed germination, and impeding water uptake. Seed germination, a crucial step towards the seedling stage is regulated by several hormones and genes, with the balance between abscisic acid and gibberellin being the key mechanism that either promotes or inhibits this process. Additionally, mucilage, a gelatinous substance, is known to provide protection against drought, herbivory, soil adhesion, and seed sinking.
View Article and Find Full Text PDFInsights into NEK2 inhibitors as antitumor agents: From mechanisms to potential therapeutics.
Eur J Med Chem
January 2025
Department of Respiratory and Critical Care Medicine, Targeted Tracer Research and Development Laboratory, Institute of Respiratory Healthand, Department of Frontiers Science Center for Disease-related Molecular Network, Core Facilities, West China Hospital, Sichuan University, Chengdu, 610041, Sichuan, China. Electronic address:
NEK2, a serine/threonine protein kinase, is integral to mitotic events such as centrosome duplication and separation, microtubule stabilization, spindle assembly checkpoint, and kinetochore attachment. However, NEK2 overexpression leads to centrosome amplification and chromosomal instability, which are significantly associated with various malignancies, including liver, breast, and non-small cell lung cancer. This overexpression could facilitate tumor development and confer resistance to therapy by promoting aberrant cell division and centrosome amplification.
View Article and Find Full Text PDFOrganoselenium Ligand Enabled Selective Electron Tuning for Switchable Hydrogen Evolution Reaction.
Chemistry
January 2025
Indian Institute of Science Education and Research Bhopal Department of Chemistry, Chemistry, Room No. 226, Academic Block - 2, Indore By-pass Road, Bhauri, 462066, Bhopal, INDIA.
Unraveling the electronic structure of metal complexes can bring various catalytic possibilities for hydrogen evolution reaction (HER). However, the electronic effect of metal and ligands modulating and switching the reaction center for HER has yet to be comprehensively analyzed. Herein, we report nickel selenoether electrocatalysts which show tunable reaction centers (nickel or ligand) for HER using mild weak acetic acid in less deprotonating DMF solvent.
View Article and Find Full Text PDFA brief review on the progress of MXene-based catalysts for electro- and photochemical water splitting for hydrogen generation.
Chem Commun (Camb)
January 2025
Materials Genome Institute of Shanghai University, Shanghai 200444, China.
The development and generation of affordable and highly efficient energy, particularly hydrogen, are one of the best approaches to address the challenges posed by the depletion of non-renewable energy sources. Hydrogen energy, as a green and ecosystem-friendly source with zero carbon emission, can be generated through various methods, including water splitting (HER/OER) either photo- or electrocatalytic reactions. To implement these reactions effectively in practical applications, it is highly desirable to develop extremely efficient and cost-effective catalytic materials that are comparable to contemporary catalysts.
View Article and Find Full Text PDFTuning the local S coordination environment on Ru single atoms to boost the oxygen evolution reaction.
Nanoscale
January 2025
School of Chemistry, Southwest Jiaotong University, Chengdu, Sichuan 610031, China.
Engineering the local electronic structure of single atom catalysts (SACs) still remains challenging. In this study, a Ru-NiS single atom catalyst with a controlled S coordination environment, where Ru single atoms are implanted on a NiS nanoflower consisting of plenty of cross-linked nanosheets, has been developed a facile atom capture strategy. Using Density Functional Theory (DFT) calculations, it has been revealed that the fine-tuned local S coordination environment can optimize the electronic structure of Ru active sites, and reduce the energy barrier of the rate-determining step for the oxygen evolution reaction (OER), thus boosting the electrocatalytic activity, such as a low overpotential of 269 mV at 10 mA cm.
View Article and Find Full Text PDFWant 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!