AI Article Synopsis
- Ultrafast multidimensional NMR techniques enable real-time study of dynamic systems, enhancing our understanding of organic reactions.
- The UF-TOCSY/HMBC sequence integrates both homonuclear and heteronuclear data for comprehensive insights into reaction mechanisms.
- This methodology aims to investigate the low reactivity of alicyclic ketones like cyclohexanone in their reactions with triflic anhydride and aliphatic nitriles to produce bicyclic pyrimidines.
Article Abstract
Ultrafast multidimensional NMR acquisition techniques have shown promising capabilities in studies of dynamic systems in real time. The method's characteristics have permitted the focus to be on the mechanistic details of organic reactions. The tandem UF-TOCSY/HMBC sequence applied here combines both homonuclear and heteronuclear details and therefore provides complete information about the evolution of a dynamic reaction in real time. The methodology will be applied to find an explanation of the low reactivity of alicyclic ketones such as cyclohexanone in reactions with triflic anhydride and aliphatic nitriles, which leads to bicyclic pyrimidines.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1021/jo5012834 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Symmetry-Breaking Charge-Separation in a Subphthalocyanine Dimer Resolved by Two-Dimensional Electronic Spectroscopy.
J Phys Chem C Nanomater Interfaces
January 2025
School of Chemistry, University of East Anglia, Norwich NR4 7TJ, U.K.
Understanding the role of structural and environmental dynamics in the excited state properties of strongly coupled chromophores is of paramount importance in molecular photonics. Ultrafast, coherent, and multidimensional spectroscopies have been utilized to investigate such dynamics in the simplest model system, the molecular dimer. Here, we present a half-broadband two-dimensional electronic spectroscopy (HB2DES) study of the previously reported ultrafast symmetry-breaking charge separation (SB-CS) in the subphthalocyanine oxo-bridged homodimer μ-OSubPc.
View Article and Find Full Text PDFQuality Evaluation of Wenyujin Rhizoma Concisum From Different Districts in China Based on HPLC, Heracles NEO Ultrafast Gas-Phase Electronic Nose, and FT-NIR.
Phytochem Anal
January 2025
School of Pharmacy, Nanjing University of Chinese Medicine, Nanjing, China.
Introduction: Wenyujin Rhizoma Concisum, named as Pian Jianghuang (PJH) in China, is the decoction piece from the dried rhizome of Curcuma wenyujin Y. H. Chenet C.
View Article and Find Full Text PDFHighly efficient heteronuclear polarization transfer using dipolar-echo edited R-symmetry sequences in solid-state NMR.
Chem Sci
December 2024
State Key Laboratory of Catalysis, Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics, Chinese Academy of Sciences Zhongshan Road 457 Dalian 116023 China
In solid-state NMR, dipolar-based heteronuclear polarization transfer has been extensively used for sensitivity enhancement and multidimensional correlations, but its efficiency often suffers from undesired spin interactions and hardware limitations. Herein, we propose a novel dipolar-echo edited R-symmetry (DEER) sequence, which is further incorporated into the INEPT-type scheme, dubbed DEER-INEPT, for achieving highly efficient heteronuclear polarization transfer. Numerical simulations and NMR experiments demonstrate that DEER-INEPT offers significantly improved robustness, enabling efficient polarization transfer under a wide range of MAS conditions, from slow to ultrafast rates, outperforming existing methods.
View Article and Find Full Text PDFAssessing Nonadiabatic Dynamics Methods in Long Timescales.
J Chem Theory Comput
January 2025
Aix Marseille University, CNRS, ICR, Marseille 13397, France.
Nonadiabatic dynamics simulations complement time-resolved experiments by revealing ultrafast excited-state mechanistic information in photochemical reactions. Understanding the relaxation mechanisms of photoexcited molecules finds application in energy, material, and medicinal research. However, with substantial computational costs, the nonadiabatic dynamics simulations have been restricted to ultrafast timescales, typically less than a few picoseconds, thus neglecting a wide range of photoactivated processes occurring in much longer timescales.
View Article and Find Full Text PDFEnhanced spectral reconstruction of ultrafast spatiotemporal encoded 2D NMR spectroscopy.
Anal Chim Acta
January 2025
State Key Laboratory of Physical Chemistry of Solid Surfaces, Xiamen University, Xiamen, 361005, China. Electronic address:
Background: Nuclear Magnetic Resonance (NMR) is extensively utilized in research as a non-invasive technique for investigating molecular structures and composite components. The spatiotemporal encoding (SPEN) technique effectively accelerates multi-dimensional NMR experiments. In ultrafast SPEN NMR, the acquired data are divided into odd and even segments corresponding to the positive and negative gradients during the decoding stage, respectively.
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!